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30 similar compounds to monomer 50178163

Compile data set for download or QSAR
Wt: 554.6
BDBM50178182
Wt: 614.0
BDBM50178185
Wt: 478.5
BDBM50178197
Wt: 572.6
BDBM50178204
Wt: 528.9
BDBM50178209
Wt: 523.5
BDBM50178211
Wt: 498.5
BDBM50178151
Wt: 604.4
BDBM50178159
Wt: 402.4
BDBM50178152
Wt: 374.4
BDBM50178154
Wt: 346.4
BDBM50178164
Wt: 312.3
BDBM50178168
Wt: 362.3
BDBM50178169
Wt: 351.3
BDBM50178170
Wt: 328.3
BDBM50178175
Displayed 1 to 15 (of 30 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50178182,50178185,50178197,50178204,50178209,50178211,50178151,50178159,50178152,50178154,50178164,50178168,50178169,50178170,50178175   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Oxytocin receptor


(HEK293)
BDBM50178209
PNG
(CHEMBL371223 | N-(4-chlorophenyl)-3,4-dimethoxy-N-...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)N=Nc1c(O)[nH]c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O6S/c1-34-20-12-11-17(13-21(20)35-2)36(32,33)29(16-9-7-15(25)8-10-16)14-22(30)27-28-23-18-5-3-4-6-19(18)26-24(23)31/h3-13,26,31H,14H2,1-2H3
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18n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50178197
PNG
(4-ethoxy-N-{2-oxo-2-[2-(2-oxo-1,2-dihydro-3H-indol...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N=Nc1c(O)[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C24H22N4O5S/c1-2-33-18-12-14-19(15-13-18)34(31,32)28(17-8-4-3-5-9-17)16-22(29)26-27-23-20-10-6-7-11-21(20)25-24(23)30/h3-15,25,30H,2,16H2,1H3
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36n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50178182
PNG
(4'-methoxy-N-(4-methylphenyl)-N-{2-oxo-2-[2-(2-oxo...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CC(=O)N=Nc1c(O)[nH]c2ccccc12)c1ccc(C)cc1
Show InChI InChI=1S/C30H26N4O5S/c1-20-7-13-23(14-8-20)34(19-28(35)32-33-29-26-5-3-4-6-27(26)31-30(29)36)40(37,38)25-17-11-22(12-18-25)21-9-15-24(39-2)16-10-21/h3-18,31,36H,19H2,1-2H3
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>214n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50178151
PNG
(CHEMBL200729 | N-(4-methylphenyl)-N-{2-oxo-2-[2-(2...)
Show SMILES Cc1ccc(cc1)N(CC(=O)N=Nc1c(O)[nH]c2ccccc12)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N4O4S/c1-18-10-13-21(14-11-18)31(36(34,35)22-15-12-19-6-2-3-7-20(19)16-22)17-25(32)29-30-26-23-8-4-5-9-24(23)28-27(26)33/h2-16,28,33H,17H2,1H3
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239n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50178209
PNG
(CHEMBL371223 | N-(4-chlorophenyl)-3,4-dimethoxy-N-...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)N=Nc1c(O)[nH]c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O6S/c1-34-20-12-11-17(13-21(20)35-2)36(32,33)29(16-9-7-15(25)8-10-16)14-22(30)27-28-23-18-5-3-4-6-19(18)26-24(23)31/h3-13,26,31H,14H2,1-2H3
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596n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50178185
PNG
(3-({[4-chloro({4-[3-(dimethylamino)propoxy]phenyl}...)
Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N=Nc1c(O)[nH]c2c(cccc12)C(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H28ClN5O7S/c1-33(2)15-4-16-41-20-11-13-21(14-12-20)42(39,40)34(19-9-7-18(29)8-10-19)17-24(35)31-32-26-22-5-3-6-23(28(37)38)25(22)30-27(26)36/h3,5-14,30,36H,4,15-17H2,1-2H3,(H,37,38)
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>1.00E+4n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50178197
PNG
(4-ethoxy-N-{2-oxo-2-[2-(2-oxo-1,2-dihydro-3H-indol...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N=Nc1c(O)[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C24H22N4O5S/c1-2-33-18-12-14-19(15-13-18)34(31,32)28(17-8-4-3-5-9-17)16-22(29)26-27-23-20-10-6-7-11-21(20)25-24(23)30/h3-15,25,30H,2,16H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50178185
PNG
(3-({[4-chloro({4-[3-(dimethylamino)propoxy]phenyl}...)
Show SMILES CN(C)CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N=Nc1c(O)[nH]c2c(cccc12)C(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H28ClN5O7S/c1-33(2)15-4-16-41-20-11-13-21(14-12-20)42(39,40)34(19-9-7-18(29)8-10-19)17-24(35)31-32-26-22-5-3-6-23(28(37)38)25(22)30-27(26)36/h3,5-14,30,36H,4,15-17H2,1-2H3,(H,37,38)
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>1.00E+4n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50178182
PNG
(4'-methoxy-N-(4-methylphenyl)-N-{2-oxo-2-[2-(2-oxo...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CC(=O)N=Nc1c(O)[nH]c2ccccc12)c1ccc(C)cc1
Show InChI InChI=1S/C30H26N4O5S/c1-20-7-13-23(14-8-20)34(19-28(35)32-33-29-26-5-3-4-6-27(26)31-30(29)36)40(37,38)25-17-11-22(12-18-25)21-9-15-24(39-2)16-10-21/h3-18,31,36H,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50178159
PNG
(4-ethoxy-N-{2-[2-(5-iodo-2-oxo-1,2-dihydro-3H-indo...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N=Nc1c(O)[nH]c2ccc(I)cc12)c1ccccc1
Show InChI InChI=1S/C24H21IN4O5S/c1-2-34-18-9-11-19(12-10-18)35(32,33)29(17-6-4-3-5-7-17)15-22(30)27-28-23-20-14-16(25)8-13-21(20)26-24(23)31/h3-14,26,31H,2,15H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50178151
PNG
(CHEMBL200729 | N-(4-methylphenyl)-N-{2-oxo-2-[2-(2...)
Show SMILES Cc1ccc(cc1)N(CC(=O)N=Nc1c(O)[nH]c2ccccc12)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H22N4O4S/c1-18-10-13-21(14-11-18)31(36(34,35)22-15-12-19-6-2-3-7-20(19)16-22)17-25(32)29-30-26-23-8-4-5-9-24(23)28-27(26)33/h2-16,28,33H,17H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50178159
PNG
(4-ethoxy-N-{2-[2-(5-iodo-2-oxo-1,2-dihydro-3H-indo...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N=Nc1c(O)[nH]c2ccc(I)cc12)c1ccccc1
Show InChI InChI=1S/C24H21IN4O5S/c1-2-34-18-9-11-19(12-10-18)35(32,33)29(17-6-4-3-5-7-17)15-22(30)27-28-23-20-14-16(25)8-13-21(20)26-24(23)31/h3-14,26,31H,2,15H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50178204
PNG
(3-[({[(4-ethoxyphenyl)sulfonyl]-4-methylanilino}-a...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N=Nc1c(O)[nH]c2ccc(cc12)S(O)(=O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C25H24N4O8S2/c1-3-37-18-8-10-19(11-9-18)38(32,33)29(17-6-4-16(2)5-7-17)15-23(30)27-28-24-21-14-20(39(34,35)36)12-13-22(21)26-25(24)31/h4-14,26,31H,3,15H2,1-2H3,(H,34,35,36)
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>1.00E+4n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50178211
PNG
(4-ethoxy-N-{2-[2-(5-nitro-2-oxo-1,2-dihydro-3H-ind...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N=Nc1c(O)[nH]c2ccc(cc12)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C24H21N5O7S/c1-2-36-18-9-11-19(12-10-18)37(34,35)28(16-6-4-3-5-7-16)15-22(30)26-27-23-20-14-17(29(32)33)8-13-21(20)25-24(23)31/h3-14,25,31H,2,15H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50178204
PNG
(3-[({[(4-ethoxyphenyl)sulfonyl]-4-methylanilino}-a...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N=Nc1c(O)[nH]c2ccc(cc12)S(O)(=O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C25H24N4O8S2/c1-3-37-18-8-10-19(11-9-18)38(32,33)29(17-6-4-16(2)5-7-17)15-23(30)27-28-24-21-14-20(39(34,35)36)12-13-22(21)26-25(24)31/h4-14,26,31H,3,15H2,1-2H3,(H,34,35,36)
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>1.00E+4n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50178211
PNG
(4-ethoxy-N-{2-[2-(5-nitro-2-oxo-1,2-dihydro-3H-ind...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N=Nc1c(O)[nH]c2ccc(cc12)[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C24H21N5O7S/c1-2-36-18-9-11-19(12-10-18)37(34,35)28(16-6-4-3-5-7-16)15-22(30)26-27-23-20-14-17(29(32)33)8-13-21(20)25-24(23)31/h3-14,25,31H,2,15H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]LVA antagonist from human vasopressin 1a receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178175
PNG
(CHEMBL3813915)
Show SMILES CC[C@@H](NC(=O)c1cccc2NC(=O)C[C@@H](C)Nc12)c1cnco1
Show InChI InChI=1S/C17H20N4O3/c1-3-12(14-8-18-9-24-14)21-17(23)11-5-4-6-13-16(11)19-10(2)7-15(22)20-13/h4-6,8-10,12,19H,3,7H2,1-2H3,(H,20,22)(H,21,23)/t10-,12-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to CBP (unknown origin) expressed in HEK293 cells after overnight incubation by luciferase reporter ge...


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178170
PNG
(CHEMBL3814881)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)NC3CCOc4ccccc34)c2N1
Show InChI InChI=1S/C20H21N3O3/c1-12-11-18(24)22-16-7-4-6-14(19(16)21-12)20(25)23-15-9-10-26-17-8-3-2-5-13(15)17/h2-8,12,15,21H,9-11H2,1H3,(H,22,24)(H,23,25)/t12-,15?/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to CBP (unknown origin) expressed in HEK293 cells after overnight incubation by luciferase reporter ge...


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178169
PNG
(CHEMBL3814896)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3cnco3)c2N1
Show InChI InChI=1S/C20H18N4O3/c1-12-8-18(25)24-16-7-3-6-15(19(16)22-12)20(26)23-14-5-2-4-13(9-14)17-10-21-11-27-17/h2-7,9-12,22H,8H2,1H3,(H,23,26)(H,24,25)/t12-/m1/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to CBP (unknown origin) expressed in HEK293 cells after overnight incubation by luciferase reporter ge...


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178168
PNG
(CHEMBL3814246)
Show SMILES COc1ccc(cc1OC)-c1cccc2NC(=O)C[C@@H](C)Nc12
Show InChI InChI=1S/C18H20N2O3/c1-11-9-17(21)20-14-6-4-5-13(18(14)19-11)12-7-8-15(22-2)16(10-12)23-3/h4-8,10-11,19H,9H2,1-3H3,(H,20,21)/t11-/m1/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to CBP (unknown origin) expressed in HEK293 cells after overnight incubation by luciferase reporter ge...


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178164
PNG
(CHEMBL3815023)
Show SMILES CC(c1ccccc1)n1cc(cn1)-c1cccc2NC(=O)C[C@@H](C)Nc12
Show InChI InChI=1S/C21H22N4O/c1-14-11-20(26)24-19-10-6-9-18(21(19)23-14)17-12-22-25(13-17)15(2)16-7-4-3-5-8-16/h3-10,12-15,23H,11H2,1-2H3,(H,24,26)/t14-,15?/m1/s1
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n/an/an/an/a 3.40E+3n/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Halo-tagged histone H3.3 binding to CBP (unknown origin) expressed in HEK293 cells after overnight incubation by luciferase reporter ge...


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178175
PNG
(CHEMBL3813915)
Show SMILES CC[C@@H](NC(=O)c1cccc2NC(=O)C[C@@H](C)Nc12)c1cnco1
Show InChI InChI=1S/C17H20N4O3/c1-3-12(14-8-18-9-24-14)21-17(23)11-5-4-6-13-16(11)19-10(2)7-15(22)20-13/h4-6,8-10,12,19H,3,7H2,1-2H3,(H,20,22)(H,21,23)/t10-,12-/m1/s1
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n/an/a 620n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178170
PNG
(CHEMBL3814881)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)NC3CCOc4ccccc34)c2N1
Show InChI InChI=1S/C20H21N3O3/c1-12-11-18(24)22-16-7-4-6-14(19(16)21-12)20(25)23-15-9-10-26-17-8-3-2-5-13(15)17/h2-8,12,15,21H,9-11H2,1H3,(H,22,24)(H,23,25)/t12-,15?/m1/s1
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n/an/a 670n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178169
PNG
(CHEMBL3814896)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3cnco3)c2N1
Show InChI InChI=1S/C20H18N4O3/c1-12-8-18(25)24-16-7-3-6-15(19(16)22-12)20(26)23-14-5-2-4-13(9-14)17-10-21-11-27-17/h2-7,9-12,22H,8H2,1H3,(H,23,26)(H,24,25)/t12-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178168
PNG
(CHEMBL3814246)
Show SMILES COc1ccc(cc1OC)-c1cccc2NC(=O)C[C@@H](C)Nc12
Show InChI InChI=1S/C18H20N2O3/c1-11-9-17(21)20-14-6-4-5-13(18(14)19-11)12-7-8-15(22-2)16(10-12)23-3/h4-8,10-11,19H,9H2,1-3H3,(H,20,21)/t11-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))
BDBM50178164
PNG
(CHEMBL3815023)
Show SMILES CC(c1ccccc1)n1cc(cn1)-c1cccc2NC(=O)C[C@@H](C)Nc12
Show InChI InChI=1S/C21H22N4O/c1-14-11-20(26)24-19-10-6-9-18(21(19)23-14)17-12-22-25(13-17)15(2)16-7-4-3-5-8-16/h3-10,12-15,23H,11H2,1-2H3,(H,24,26)/t14-,15?/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50178175
PNG
(CHEMBL3813915)
Show SMILES CC[C@@H](NC(=O)c1cccc2NC(=O)C[C@@H](C)Nc12)c1cnco1
Show InChI InChI=1S/C17H20N4O3/c1-3-12(14-8-18-9-24-14)21-17(23)11-5-4-6-13-16(11)19-10(2)7-15(22)20-13/h4-6,8-10,12,19H,3,7H2,1-2H3,(H,20,22)(H,21,23)/t10-,12-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50178170
PNG
(CHEMBL3814881)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)NC3CCOc4ccccc34)c2N1
Show InChI InChI=1S/C20H21N3O3/c1-12-11-18(24)22-16-7-4-6-14(19(16)21-12)20(25)23-15-9-10-26-17-8-3-2-5-13(15)17/h2-8,12,15,21H,9-11H2,1H3,(H,22,24)(H,23,25)/t12-,15?/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50178169
PNG
(CHEMBL3814896)
Show SMILES C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(c3)-c3cnco3)c2N1
Show InChI InChI=1S/C20H18N4O3/c1-12-8-18(25)24-16-7-3-6-15(19(16)22-12)20(26)23-14-5-2-4-13(9-14)17-10-21-11-27-17/h2-7,9-12,22H,8H2,1H3,(H,23,26)(H,24,25)/t12-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50178168
PNG
(CHEMBL3814246)
Show SMILES COc1ccc(cc1OC)-c1cccc2NC(=O)C[C@@H](C)Nc12
Show InChI InChI=1S/C18H20N2O3/c1-11-9-17(21)20-14-6-4-5-13(18(14)19-11)12-7-8-15(22-2)16(10-12)23-3/h4-8,10-11,19H,9H2,1-3H3,(H,20,21)/t11-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50178164
PNG
(CHEMBL3815023)
Show SMILES CC(c1ccccc1)n1cc(cn1)-c1cccc2NC(=O)C[C@@H](C)Nc12
Show InChI InChI=1S/C21H22N4O/c1-14-11-20(26)24-19-10-6-9-18(21(19)23-14)17-12-22-25(13-17)15(2)16-7-4-3-5-8-16/h3-10,12-15,23H,11H2,1-2H3,(H,24,26)/t14-,15?/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) incubated for 10 mins by TR-FRET assay


ACS Med Chem Lett 7: 531-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00075
BindingDB Entry DOI: 10.7270/Q20G3N3S
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50178152
PNG
(CHEMBL3815045)
Show SMILES CCn1c(nc2ccccc12)-c1nc(cnc1N)-c1cnn(c1)C1CCN(C)CC1
Show InChI InChI=1S/C22H26N8/c1-3-29-19-7-5-4-6-17(19)27-22(29)20-21(23)24-13-18(26-20)15-12-25-30(14-15)16-8-10-28(2)11-9-16/h4-7,12-14,16H,3,8-11H2,1-2H3,(H2,23,24)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human EGFR T790M/L858R double mutant using biotinylated TK substrate incubated for 50 mins by HTRF as...


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50178154
PNG
(CHEMBL3813979)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H22N8/c1-27-8-6-14(7-9-27)28-12-13(10-23-28)17-11-22-19(21)18(24-17)20-25-15-4-2-3-5-16(15)26-20/h2-5,10-12,14H,6-9H2,1H3,(H2,21,22)(H,25,26)
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n/an/a 290n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human EGFR T790M/L858R double mutant using biotinylated TK substrate incubated for 50 mins by HTRF as...


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair