Compile Data Set for Download or QSAR
Found 20 Enz. Inhib. hit(s) with all data for entry = 50010462
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50539093(CHEMBL4633500)
Show SMILES CN1C(=O)N(Cc2cn(CCOCC(=O)Nc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)nn2)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C40H39N9O7/c1-23-36(24(2)56-44-23)26-12-13-32-29(18-26)37(25-8-5-4-6-9-25)49(40(54)46(32)3)20-27-19-47(45-43-27)16-17-55-22-35(51)41-31-11-7-10-28-30(31)21-48(39(28)53)33-14-15-34(50)42-38(33)52/h4-13,18-19,33,37H,14-17,20-22H2,1-3H3,(H,41,51)(H,42,50,52)
Affinity DataIC50: 14nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50539095(CHEMBL4635019)
Show SMILES CN1C(=O)N(Cc2cn(CCOCCOCC(=O)Nc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)nn2)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C42H43N9O8/c1-25-38(26(2)59-46-25)28-12-13-34-31(20-28)39(27-8-5-4-6-9-27)51(42(56)48(34)3)22-29-21-49(47-45-29)16-17-57-18-19-58-24-37(53)43-33-11-7-10-30-32(33)23-50(41(30)55)35-14-15-36(52)44-40(35)54/h4-13,20-21,35,39H,14-19,22-24H2,1-3H3,(H,43,53)(H,44,52,54)
Affinity DataIC50: 15nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50539096(CHEMBL4645708)
Show SMILES CN1C(=O)N(Cc2cn(CCOCCOCCOCC(=O)Nc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)nn2)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C44H47N9O9/c1-27-40(28(2)62-48-27)30-12-13-36-33(22-30)41(29-8-5-4-6-9-29)53(44(58)50(36)3)24-31-23-51(49-47-31)16-17-59-18-19-60-20-21-61-26-39(55)45-35-11-7-10-32-34(35)25-52(43(32)57)37-14-15-38(54)46-42(37)56/h4-13,22-23,37,41H,14-21,24-26H2,1-3H3,(H,45,55)(H,46,54,56)
Affinity DataIC50: 22nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50539097(CHEMBL4645593)
Show SMILES CN1C(=O)N(Cc2cn(CCOCCOCCOCCOCC(=O)Nc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)nn2)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C46H51N9O10/c1-29-42(30(2)65-50-29)32-12-13-38-35(24-32)43(31-8-5-4-6-9-31)55(46(60)52(38)3)26-33-25-53(51-49-33)16-17-61-18-19-62-20-21-63-22-23-64-28-41(57)47-37-11-7-10-34-36(37)27-54(45(34)59)39-14-15-40(56)48-44(39)58/h4-13,24-25,39,43H,14-23,26-28H2,1-3H3,(H,47,57)(H,48,56,58)
Affinity DataIC50: 23nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50365262((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
Affinity DataIC50: 28nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50539098(CHEMBL4640303)
Show SMILES CN1C(=O)N(Cc2cn(CCOCC(=O)Nc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C40H37N9O8/c1-22-34(23(2)57-44-22)25-12-13-30-28(18-25)36(24-8-5-4-6-9-24)48(40(55)46(30)3)20-26-19-47(45-43-26)16-17-56-21-33(51)41-29-11-7-10-27-35(29)39(54)49(38(27)53)31-14-15-32(50)42-37(31)52/h4-13,18-19,31,36H,14-17,20-21H2,1-3H3,(H,41,51)(H,42,50,52)
Affinity DataIC50: 42nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50260090(CHEMBL4076296)
Show SMILES CN1C(c2ccccc2)c2cc(ccc2NC1=O)-c1c(C)noc1C
Show InChI InChI=1S/C20H19N3O2/c1-12-18(13(2)25-22-12)15-9-10-17-16(11-15)19(23(3)20(24)21-17)14-7-5-4-6-8-14/h4-11,19H,1-3H3,(H,21,24)
Affinity DataIC50: 44nMAssay Description:Inhibition of recombinant GST-tagged BRD4 BD1 (44 to 168 residues) (unknown origin) incubated for 30 mins by alphascreen assayMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50539094(CHEMBL4637198)
Show SMILES CN1C(=O)NC(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C20H19N3O2/c1-12-18(13(2)25-22-12)15-9-10-17-16(11-15)19(21-20(24)23(17)3)14-7-5-4-6-8-14/h4-11,19H,1-3H3,(H,21,24)
Affinity DataIC50: 46nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50539099(CHEMBL4647911)
Show SMILES CN1C(=O)N(Cc2cn(CCOCCOCC(=O)Nc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C42H41N9O9/c1-24-36(25(2)60-46-24)27-12-13-32-30(20-27)38(26-8-5-4-6-9-26)50(42(57)48(32)3)22-28-21-49(47-45-28)16-17-58-18-19-59-23-35(53)43-31-11-7-10-29-37(31)41(56)51(40(29)55)33-14-15-34(52)44-39(33)54/h4-13,20-21,33,38H,14-19,22-23H2,1-3H3,(H,43,53)(H,44,52,54)
Affinity DataIC50: 68nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50539089(CHEMBL4640069)
Show SMILES CN1C(=O)N(CC(=O)NCCCCCCCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C43H47N7O7/c1-26-39(27(2)57-47-26)29-18-19-34-31(23-29)40(28-13-8-7-9-14-28)50(43(56)48(34)3)25-38(53)44-22-11-6-4-5-10-17-36(51)45-33-16-12-15-30-32(33)24-49(42(30)55)35-20-21-37(52)46-41(35)54/h7-9,12-16,18-19,23,35,40H,4-6,10-11,17,20-22,24-25H2,1-3H3,(H,44,53)(H,45,51)(H,46,52,54)
Affinity DataIC50: 68nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50539100(CHEMBL4636103)
Show SMILES CN1C(=O)N(Cc2cn(CCOCCOCCOCC(=O)Nc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C44H45N9O10/c1-26-38(27(2)63-48-26)29-12-13-34-32(22-29)40(28-8-5-4-6-9-28)52(44(59)50(34)3)24-30-23-51(49-47-30)16-17-60-18-19-61-20-21-62-25-37(55)45-33-11-7-10-31-39(33)43(58)53(42(31)57)35-14-15-36(54)46-41(35)56/h4-13,22-23,35,40H,14-21,24-25H2,1-3H3,(H,45,55)(H,46,54,56)
Affinity DataIC50: 69nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50539088(CHEMBL4635906)
Show SMILES CN1C(=O)N(CC(=O)NCCCCCCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C42H45N7O7/c1-25-38(26(2)56-46-25)28-17-18-33-30(22-28)39(27-12-7-6-8-13-27)49(42(55)47(33)3)24-37(52)43-21-10-5-4-9-16-35(50)44-32-15-11-14-29-31(32)23-48(41(29)54)34-19-20-36(51)45-40(34)53/h6-8,11-15,17-18,22,34,39H,4-5,9-10,16,19-21,23-24H2,1-3H3,(H,43,52)(H,44,50)(H,45,51,53)
Affinity DataIC50: 81nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50539087(CHEMBL4634788)
Show SMILES CN1C(=O)N(CC(=O)NCCCCCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C41H43N7O7/c1-24-37(25(2)55-45-24)27-16-17-32-29(21-27)38(26-11-6-4-7-12-26)48(41(54)46(32)3)23-36(51)42-20-9-5-8-15-34(49)43-31-14-10-13-28-30(31)22-47(40(28)53)33-18-19-35(50)44-39(33)52/h4,6-7,10-14,16-17,21,33,38H,5,8-9,15,18-20,22-23H2,1-3H3,(H,42,51)(H,43,49)(H,44,50,52)
Affinity DataIC50: 99nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50539092(CHEMBL4646282)
Show SMILES CN1C(=O)N(CCCCCCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C40H42N6O6/c1-24-36(25(2)52-43-24)27-17-18-32-29(22-27)37(26-12-7-6-8-13-26)45(40(51)44(32)3)21-10-5-4-9-16-34(47)41-31-15-11-14-28-30(31)23-46(39(28)50)33-19-20-35(48)42-38(33)49/h6-8,11-15,17-18,22,33,37H,4-5,9-10,16,19-21,23H2,1-3H3,(H,41,47)(H,42,48,49)
Affinity DataIC50: 118nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50539084(CHEMBL4648075)
Show SMILES CN1C(=O)N(CC(=O)NCCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C38H37N7O7/c1-21-34(22(2)52-42-21)24-12-13-29-26(18-24)35(23-8-5-4-6-9-23)45(38(51)43(29)3)20-33(48)39-17-16-32(47)40-28-11-7-10-25-27(28)19-44(37(25)50)30-14-15-31(46)41-36(30)49/h4-13,18,30,35H,14-17,19-20H2,1-3H3,(H,39,48)(H,40,47)(H,41,46,49)
Affinity DataIC50: 132nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50539086(CHEMBL4635354)
Show SMILES CN1C(=O)N(CC(=O)NCCCCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C40H41N7O7/c1-23-36(24(2)54-44-23)26-15-16-31-28(20-26)37(25-10-5-4-6-11-25)47(40(53)45(31)3)22-35(50)41-19-8-7-14-33(48)42-30-13-9-12-27-29(30)21-46(39(27)52)32-17-18-34(49)43-38(32)51/h4-6,9-13,15-16,20,32,37H,7-8,14,17-19,21-22H2,1-3H3,(H,41,50)(H,42,48)(H,43,49,51)
Affinity DataIC50: 134nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50539091(CHEMBL4645340)
Show SMILES CN1C(=O)N(CCCCCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C39H40N6O6/c1-23-35(24(2)51-42-23)26-16-17-31-28(21-26)36(25-11-6-4-7-12-25)44(39(50)43(31)3)20-9-5-8-15-33(46)40-30-14-10-13-27-29(30)22-45(38(27)49)32-18-19-34(47)41-37(32)48/h4,6-7,10-14,16-17,21,32,36H,5,8-9,15,18-20,22H2,1-3H3,(H,40,46)(H,41,47,48)
Affinity DataIC50: 135nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50539085(CHEMBL4643220)
Show SMILES CN1C(=O)N(CC(=O)NCCCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C39H39N7O7/c1-22-35(23(2)53-43-22)25-14-15-30-27(19-25)36(24-9-5-4-6-10-24)46(39(52)44(30)3)21-34(49)40-18-8-13-32(47)41-29-12-7-11-26-28(29)20-45(38(26)51)31-16-17-33(48)42-37(31)50/h4-7,9-12,14-15,19,31,36H,8,13,16-18,20-21H2,1-3H3,(H,40,49)(H,41,47)(H,42,48,50)
Affinity DataIC50: 138nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50539090(CHEMBL4644375)
Show SMILES CN1C(=O)N(CCCCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C38H38N6O6/c1-22-34(23(2)50-41-22)25-15-16-30-27(20-25)35(24-10-5-4-6-11-24)43(38(49)42(30)3)19-8-7-14-32(45)39-29-13-9-12-26-28(29)21-44(37(26)48)31-17-18-33(46)40-36(31)47/h4-6,9-13,15-16,20,31,35H,7-8,14,17-19,21H2,1-3H3,(H,39,45)(H,40,46,47)
Affinity DataIC50: 144nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBromodomain-containing protein 4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50539101(CHEMBL4637239)
Show SMILES CN1C(=O)N(Cc2cn(CCOCCOCCOCCOCC(=O)Nc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)C(c2ccccc2)c2cc(ccc12)-c1c(C)noc1C
Show InChI InChI=1S/C46H49N9O11/c1-28-40(29(2)66-50-28)31-12-13-36-34(24-31)42(30-8-5-4-6-9-30)54(46(61)52(36)3)26-32-25-53(51-49-32)16-17-62-18-19-63-20-21-64-22-23-65-27-39(57)47-35-11-7-10-33-41(35)45(60)55(44(33)59)37-14-15-38(56)48-43(37)58/h4-13,24-25,37,42H,14-23,26-27H2,1-3H3,(H,47,57)(H,48,56,58)
Affinity DataIC50: 173nMAssay Description:Inhibition of recombinant human GST-tagged BRD4 BD1 (44 to 168 residues) expressed in Escherichia coli incubated for 60 mins by alphascreen assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid