Bromodomain-containing proteins

Cas#: 900305-37-5        Compound CID:  40642506

Formula:  C₂₁H₂₄N₄O₃        Molecular Weight: 380.44

IUPAC Name: N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide

SMILES: CN1C2=C(C=C(C(=C2)NC(=O)C3=CC=CC=C3OC)N4CCCC4)N(C1=O)C

InChIKey: QCIJLRJBZDBVDB-UHFFFAOYSA-N

InChI: InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)

Cas#: 78824-30-3        Compound CID:  5281560

Formula:  C₃₈H₅₀O₆        Molecular Weight: 602.8

IUPAC Name: (1S,3Z,5R,7R)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione

SMILES: CC(=CCC1CC2(C(=O)C(=C(C3=CC(=C(C=C3)O)O)O)C(=O)C(C2=O)(C1(C)C)CC=C(C)C)CC(CC=C(C)C)C(=C)C)C

InChIKey: DTTONLKLWRTCAB-BZSUNBQASA-N

InChI: InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-41H,7,13,15,18,20-21H2,1-6,8-10H3/b32-31-/t27-,28+,37+,38-/m0/s1

Cas#: 1613695-14-9        Compound CID:  72201027

Formula:  C₂₈H₃₃ClN₄O₃        Molecular Weight: 509.04

IUPAC Name: 4-[(2S)-1-[2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]propan-2-yl]morpholine

SMILES: CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC(=C(C=C4)OC)Cl)CC(C)N5CCOCC5

InChIKey: GEPYBHCJBORHCE-SFHVURJKSA-N

InChI: InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1

Cas#: 919973-83-4        Compound CID:  35397514

Formula:  C₁₇H₁₈BrN₃O₄S        Molecular Weight: 440.31

IUPAC Name: 4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide

SMILES: CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C

InChIKey: YUNQZQREIHWDQT-UHFFFAOYSA-N

InChI: InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3

Cas#: 1640282-31-0        Compound CID:  90488984

Formula:  C₂₇H₃₆N₂O₅        Molecular Weight: 468.59

IUPAC Name: 1-[7-(3,4-dimethoxyphenyl)-9-[[(3S)-1-methylpiperidin-3-yl]methoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one

SMILES: CCC(=O)N1CCOC2=C(C1)C=C(C=C2OCC3CCCN(C3)C)C4=CC(=C(C=C4)OC)OC

InChIKey: YKNAKDFZAWQEEO-IBGZPJMESA-N

InChI: InChI=1S/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3/t19-/m0/s1

Cas#: 1819363-80-8        Compound CID:  78243717

Formula:  C₁₉H₁₉N₃O₂        Molecular Weight: 321.4

IUPAC Name: (E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one

SMILES: C1C2CN(C1CN2C3=CC=CC=N3)C=CC(=O)C4=CC=CC=C4O

InChIKey: INAICWLVUAKEPB-QSTFCLMHSA-N

InChI: InChI=1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1

Cas#: 481-42-5        Compound CID:  10205

Formula:  C₁₁H₈O₃        Molecular Weight: 188.18

IUPAC Name: 5-hydroxy-2-methylnaphthalene-1,4-dione

SMILES: CC1=CC(=O)C2=C(C1=O)C=CC=C2O

InChIKey: VCMMXZQDRFWYSE-UHFFFAOYSA-N

InChI: InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3

Cas#: 1665195-94-7        Compound CID:  91654625

Formula:  C₂₀H₁₉N₇        Molecular Weight: 357.41

IUPAC Name: 4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzonitrile

SMILES: CN1C=C(C=N1)CCN2C=NC(=C2C3=CC=C(C=C3)C#N)C4=CN(N=C4)C

InChIKey: RRZVGDGTWNQAPW-UHFFFAOYSA-N

InChI: InChI=1S/C20H19N7/c1-25-12-16(10-23-25)7-8-27-14-22-19(18-11-24-26(2)13-18)20(27)17-5-3-15(9-21)4-6-17/h3-6,10-14H,7-8H2,1-2H3

Cas#: 901245-65-6        Compound CID:  15990224

Formula:  C₂₂H₂₆N₄O₃        Molecular Weight: 394.47

IUPAC Name: N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide

SMILES: CN1C2=C(C=C(C(=C2)NC(=O)C3=CC=CC=C3OC)N4CCCCC4)N(C1=O)C

InChIKey: LTUGYAOMCKNTGG-UHFFFAOYSA-N

InChI: InChI=1S/C22H26N4O3/c1-24-18-13-16(23-21(27)15-9-5-6-10-20(15)29-3)17(26-11-7-4-8-12-26)14-19(18)25(2)22(24)28/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,23,27)

Cas#: 1992047-61-6        Compound CID:  117072550

Formula:  C₂₇H₃₇N₅O₂S        Molecular Weight: 495.68

IUPAC Name: N-cyclopropyl-2-propylsulfonyl-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)indol-5-yl]pyrimidin-4-amine

SMILES: CCCS(=O)(=O)C1=NC(=CC(=N1)NC2CC2)C3=CC4=C(C=C3)N(C=C4)C5CC(NC(C5)(C)C)(C)C

InChIKey: XVECNLUKQDKOST-UHFFFAOYSA-N

InChI: InChI=1S/C27H37N5O2S/c1-6-13-35(33,34)25-29-22(15-24(30-25)28-20-8-9-20)18-7-10-23-19(14-18)11-12-32(23)21-16-26(2,3)31-27(4,5)17-21/h7,10-12,14-15,20-21,31H,6,8-9,13,16-17H2,1-5H3,(H,28,29,30)

Cas#: 989-51-5        Compound CID:  65064

Formula:  C₂₂H₁₈O₁₁        Molecular Weight: 458.37

IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

InChIKey: WMBWREPUVVBILR-WIYYLYMNSA-N

InChI: InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1

Cas#: 328968-36-1        Compound CID:  1285941

Formula:  C₂₄H₁₉N₃O₆        Molecular Weight: 445.42

IUPAC Name: 4-[(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

SMILES: CC1=CC(=C(C=C1C)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C

InChIKey: HEKJYZZSCQBJGB-UNOMPAQXSA-N

InChI: InChI=1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12-