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Compile Data Set for Download or QSAR

Found 1017 hits with Last Name = 'purandare' and Initial = 'av'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150431
PNG
((S)-N2-(2-(4-fluorophenoxy)ethyl)-N4-(1-phenylethy...)
Show SMILES C[C@H](Nc1ccnc(NCCOc2ccc(F)cc2)c1)c1ccccc1
Show InChI InChI=1S/C21H22FN3O/c1-16(17-5-3-2-4-6-17)25-19-11-12-23-21(15-19)24-13-14-26-20-9-7-18(22)8-10-20/h2-12,15-16H,13-14H2,1H3,(H2,23,24,25)/t16-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150439
PNG
(CHEMBL182923 | N*2*-Phenethyl-N*4*-((S)-1-phenyl-e...)
Show SMILES C[C@H](Nc1ccnc(NCCc2ccccc2)c1)c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-17(19-10-6-3-7-11-19)24-20-13-15-23-21(16-20)22-14-12-18-8-4-2-5-9-18/h2-11,13,15-17H,12,14H2,1H3,(H2,22,23,24)/t17-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150430
PNG
(CHEMBL183277 | N*2*-[2-(4-Fluoro-phenoxy)-ethyl]-N...)
Show SMILES C[C@H](Nc1ccnc(NCCOc2ccc(F)cc2)n1)c1ccccc1
Show InChI InChI=1S/C20H21FN4O/c1-15(16-5-3-2-4-6-16)24-19-11-12-22-20(25-19)23-13-14-26-18-9-7-17(21)8-10-18/h2-12,15H,13-14H2,1H3,(H2,22,23,24,25)/t15-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150428
PNG
(CHEMBL183423 | N*4*-[2-(4-Fluoro-phenoxy)-ethyl]-N...)
Show SMILES C[C@H](Nc1cc(NCCOc2ccc(F)cc2)ccn1)c1ccccc1
Show InChI InChI=1S/C21H22FN3O/c1-16(17-5-3-2-4-6-17)25-21-15-19(11-12-24-21)23-13-14-26-20-9-7-18(22)8-10-20/h2-12,15-16H,13-14H2,1H3,(H2,23,24,25)/t16-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150425
PNG
(CHEMBL184607 | N*4*-(2-Phenoxy-ethyl)-N*2*-((S)-1-...)
Show SMILES C[C@H](Nc1cc(NCCOc2ccccc2)ccn1)c1ccccc1
Show InChI InChI=1S/C21H23N3O/c1-17(18-8-4-2-5-9-18)24-21-16-19(12-13-23-21)22-14-15-25-20-10-6-3-7-11-20/h2-13,16-17H,14-15H2,1H3,(H2,22,23,24)/t17-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150446
PNG
(CHEMBL181356 | N*2*-(2-Phenoxy-ethyl)-N*4*-((S)-1-...)
Show SMILES C[C@H](Nc1ccnc(NCCOc2ccccc2)c1)c1ccccc1
Show InChI InChI=1S/C21H23N3O/c1-17(18-8-4-2-5-9-18)24-19-12-13-22-21(16-19)23-14-15-25-20-10-6-3-7-11-20/h2-13,16-17H,14-15H2,1H3,(H2,22,23,24)/t17-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150441
PNG
(CHEMBL181605 | N*2*-[2-(4-Fluoro-phenyl)-ethyl]-N*...)
Show SMILES C[C@H](Nc1ccnc(NCCc2ccc(F)cc2)c1)c1ccccc1
Show InChI InChI=1S/C21H22FN3/c1-16(18-5-3-2-4-6-18)25-20-12-14-24-21(15-20)23-13-11-17-7-9-19(22)10-8-17/h2-10,12,14-16H,11,13H2,1H3,(H2,23,24,25)/t16-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150422
PNG
(CHEMBL185384 | N*2*-Phenethyl-N*4*-((S)-1-phenyl-e...)
Show SMILES C[C@H](Nc1ccnc(NCCc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C20H22N4/c1-16(18-10-6-3-7-11-18)23-19-13-15-22-20(24-19)21-14-12-17-8-4-2-5-9-17/h2-11,13,15-16H,12,14H2,1H3,(H2,21,22,23,24)/t16-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150438
PNG
(CHEMBL182071 | N*4*-[2-(4-Fluoro-phenoxy)-ethyl]-N...)
Show SMILES CC(Nc1nccc(NCCOc2ccc(F)cc2)n1)c1ccccc1
Show InChI InChI=1S/C20H21FN4O/c1-15(16-5-3-2-4-6-16)24-20-23-12-11-19(25-20)22-13-14-26-18-9-7-17(21)8-10-18/h2-12,15H,13-14H2,1H3,(H2,22,23,24,25)
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150433
PNG
(CHEMBL185511 | N*2*-(2-Phenoxy-ethyl)-N*4*-((S)-1-...)
Show SMILES C[C@H](Nc1ccnc(NCCOc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C20H22N4O/c1-16(17-8-4-2-5-9-17)23-19-12-13-21-20(24-19)22-14-15-25-18-10-6-3-7-11-18/h2-13,16H,14-15H2,1H3,(H2,21,22,23,24)/t16-/m0/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150436
PNG
(CHEMBL181950 | N*4*-Phenethyl-N*2*-((S)-1-phenyl-e...)
Show SMILES C[C@H](Nc1cc(NCCc2ccccc2)ccn1)c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-17(19-10-6-3-7-11-19)24-21-16-20(13-15-23-21)22-14-12-18-8-4-2-5-9-18/h2-11,13,15-17H,12,14H2,1H3,(H2,22,23,24)/t17-/m0/s1
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150432
PNG
(CHEMBL185512 | N*4*-[2-(4-Fluoro-phenyl)-ethyl]-N*...)
Show SMILES C[C@H](Nc1cc(NCCc2ccc(F)cc2)ccn1)c1ccccc1
Show InChI InChI=1S/C21H22FN3/c1-16(18-5-3-2-4-6-18)25-21-15-20(12-14-24-21)23-13-11-17-7-9-19(22)10-8-17/h2-10,12,14-16H,11,13H2,1H3,(H2,23,24,25)/t16-/m0/s1
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150440
PNG
(CHEMBL359725 | N-(2-Phenoxy-ethyl)-N''-((S)-1-phen...)
Show SMILES C[C@H](Nc1cncc(NCCOc2ccccc2)c1)c1ccccc1
Show InChI InChI=1S/C21H23N3O/c1-17(18-8-4-2-5-9-18)24-20-14-19(15-22-16-20)23-12-13-25-21-10-6-3-7-11-21/h2-11,14-17,23-24H,12-13H2,1H3/t17-/m0/s1
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150437
PNG
(CHEMBL184789 | N-[2-(4-Fluoro-phenoxy)-ethyl]-N''-...)
Show SMILES C[C@H](Nc1cncc(NCCOc2ccc(F)cc2)c1)c1ccccc1
Show InChI InChI=1S/C21H22FN3O/c1-16(17-5-3-2-4-6-17)25-20-13-19(14-23-15-20)24-11-12-26-21-9-7-18(22)8-10-21/h2-10,13-16,24-25H,11-12H2,1H3/t16-/m0/s1
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150424
PNG
(CHEMBL182943 | N-[2-(4-Fluoro-phenoxy)-ethyl]-N''-...)
Show SMILES C[C@H](Nc1cc(NCCOc2ccc(F)cc2)ncn1)c1ccccc1
Show InChI InChI=1S/C20H21FN4O/c1-15(16-5-3-2-4-6-16)25-20-13-19(23-14-24-20)22-11-12-26-18-9-7-17(21)8-10-18/h2-10,13-15H,11-12H2,1H3,(H2,22,23,24,25)/t15-/m0/s1
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150423
PNG
(CHEMBL182680 | N-[2-(4-Fluoro-phenyl)-ethyl]-N''-(...)
Show SMILES C[C@H](Nc1cc(NCCc2ccc(F)cc2)ncn1)c1ccccc1
Show InChI InChI=1S/C20H21FN4/c1-15(17-5-3-2-4-6-17)25-20-13-19(23-14-24-20)22-12-11-16-7-9-18(21)10-8-16/h2-10,13-15H,11-12H2,1H3,(H2,22,23,24,25)/t15-/m0/s1
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150444
PNG
(CHEMBL185437 | N*2*-[2-(4-Fluoro-phenyl)-ethyl]-N*...)
Show SMILES CC(Nc1ccnc(NCCc2ccc(F)cc2)n1)c1ccccc1
Show InChI InChI=1S/C20H21FN4/c1-15(17-5-3-2-4-6-17)24-19-12-14-23-20(25-19)22-13-11-16-7-9-18(21)10-8-16/h2-10,12,14-15H,11,13H2,1H3,(H2,22,23,24,25)
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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150442
PNG
(CHEMBL182070 | N*4*-Phenethyl-N*2*-(1-phenyl-ethyl...)
Show SMILES CC(Nc1nccc(NCCc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C20H22N4/c1-16(18-10-6-3-7-11-18)23-20-22-15-13-19(24-20)21-14-12-17-8-4-2-5-9-17/h2-11,13,15-16H,12,14H2,1H3,(H2,21,22,23,24)
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6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150427
PNG
(CHEMBL182356 | N-Phenethyl-N''-((S)-1-phenyl-ethyl...)
Show SMILES C[C@H](Nc1cncc(NCCc2ccccc2)c1)c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-17(19-10-6-3-7-11-19)24-21-14-20(15-22-16-21)23-13-12-18-8-4-2-5-9-18/h2-11,14-17,23-24H,12-13H2,1H3/t17-/m0/s1
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50150428
PNG
(CHEMBL183423 | N*4*-[2-(4-Fluoro-phenoxy)-ethyl]-N...)
Show SMILES C[C@H](Nc1cc(NCCOc2ccc(F)cc2)ccn1)c1ccccc1
Show InChI InChI=1S/C21H22FN3O/c1-16(17-5-3-2-4-6-17)25-21-15-19(11-12-24-21)23-13-14-26-20-9-7-18(22)8-10-20/h2-12,15-16H,13-14H2,1H3,(H2,23,24,25)/t16-/m0/s1
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13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 2C receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50150431
PNG
((S)-N2-(2-(4-fluorophenoxy)ethyl)-N4-(1-phenylethy...)
Show SMILES C[C@H](Nc1ccnc(NCCOc2ccc(F)cc2)c1)c1ccccc1
Show InChI InChI=1S/C21H22FN3O/c1-16(17-5-3-2-4-6-17)25-19-11-12-23-21(15-19)24-13-14-26-20-9-7-18(22)8-10-20/h2-12,15-16H,13-14H2,1H3,(H2,23,24,25)/t16-/m0/s1
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15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 2C receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150426
PNG
(CHEMBL182006 | N-[2-(4-Fluoro-phenyl)-ethyl]-N''-(...)
Show SMILES C[C@H](Nc1cncc(NCCc2ccc(F)cc2)c1)c1ccccc1
Show InChI InChI=1S/C21H22FN3/c1-16(18-5-3-2-4-6-18)25-21-13-20(14-23-15-21)24-12-11-17-7-9-19(22)10-8-17/h2-10,13-16,24-25H,11-12H2,1H3/t16-/m0/s1
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16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150445
PNG
(CHEMBL180087 | N-Phenethyl-N''-((S)-1-phenyl-ethyl...)
Show SMILES C[C@H](Nc1cc(NCCc2ccccc2)ncn1)c1ccccc1
Show InChI InChI=1S/C20H22N4/c1-16(18-10-6-3-7-11-18)24-20-14-19(22-15-23-20)21-13-12-17-8-4-2-5-9-17/h2-11,14-16H,12-13H2,1H3,(H2,21,22,23,24)/t16-/m0/s1
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33n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50150438
PNG
(CHEMBL182071 | N*4*-[2-(4-Fluoro-phenoxy)-ethyl]-N...)
Show SMILES CC(Nc1nccc(NCCOc2ccc(F)cc2)n1)c1ccccc1
Show InChI InChI=1S/C20H21FN4O/c1-15(16-5-3-2-4-6-16)24-20-23-12-11-19(25-20)22-13-14-26-18-9-7-17(21)8-10-18/h2-12,15H,13-14H2,1H3,(H2,22,23,24,25)
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40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 2C receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50150431
PNG
((S)-N2-(2-(4-fluorophenoxy)ethyl)-N4-(1-phenylethy...)
Show SMILES C[C@H](Nc1ccnc(NCCOc2ccc(F)cc2)c1)c1ccccc1
Show InChI InChI=1S/C21H22FN3O/c1-16(17-5-3-2-4-6-17)25-19-11-12-23-21(15-19)24-13-14-26-20-9-7-18(22)8-10-20/h2-12,15-16H,13-14H2,1H3,(H2,23,24,25)/t16-/m0/s1
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370n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against D2L receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50150437
PNG
(CHEMBL184789 | N-[2-(4-Fluoro-phenoxy)-ethyl]-N''-...)
Show SMILES C[C@H](Nc1cncc(NCCOc2ccc(F)cc2)c1)c1ccccc1
Show InChI InChI=1S/C21H22FN3O/c1-16(17-5-3-2-4-6-17)25-20-13-19(14-23-15-20)24-11-12-26-21-9-7-18(22)8-10-21/h2-10,13-16,24-25H,11-12H2,1H3/t16-/m0/s1
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476n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 2C receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150443
PNG
(CHEMBL182938 | N-Phenethyl-N''-((S)-1-phenyl-ethyl...)
Show SMILES C[C@H](Nc1cccc(NCCc2ccccc2)c1)c1ccccc1
Show InChI InChI=1S/C22H24N2/c1-18(20-11-6-3-7-12-20)24-22-14-8-13-21(17-22)23-16-15-19-9-4-2-5-10-19/h2-14,17-18,23-24H,15-16H2,1H3/t18-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50150437
PNG
(CHEMBL184789 | N-[2-(4-Fluoro-phenoxy)-ethyl]-N''-...)
Show SMILES C[C@H](Nc1cncc(NCCOc2ccc(F)cc2)c1)c1ccccc1
Show InChI InChI=1S/C21H22FN3O/c1-16(17-5-3-2-4-6-17)25-20-13-19(14-23-15-20)24-11-12-26-21-9-7-18(22)8-10-21/h2-10,13-16,24-25H,11-12H2,1H3/t16-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against D2L receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50150428
PNG
(CHEMBL183423 | N*4*-[2-(4-Fluoro-phenoxy)-ethyl]-N...)
Show SMILES C[C@H](Nc1cc(NCCOc2ccc(F)cc2)ccn1)c1ccccc1
Show InChI InChI=1S/C21H22FN3O/c1-16(17-5-3-2-4-6-17)25-21-15-19(11-12-24-21)23-13-14-26-20-9-7-18(22)8-10-20/h2-12,15-16H,13-14H2,1H3,(H2,23,24,25)/t16-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against D2L receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50150438
PNG
(CHEMBL182071 | N*4*-[2-(4-Fluoro-phenoxy)-ethyl]-N...)
Show SMILES CC(Nc1nccc(NCCOc2ccc(F)cc2)n1)c1ccccc1
Show InChI InChI=1S/C20H21FN4O/c1-15(16-5-3-2-4-6-16)24-20-23-12-11-19(25-20)22-13-14-26-18-9-7-17(21)8-10-18/h2-12,15H,13-14H2,1H3,(H2,22,23,24,25)
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>1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against D2L receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150429
PNG
(CHEMBL182860 | N-(2-Phenoxy-ethyl)-N''-((S)-1-phen...)
Show SMILES C[C@H](Nc1cccc(NCCOc2ccccc2)c1)c1ccccc1
Show InChI InChI=1S/C22H24N2O/c1-18(19-9-4-2-5-10-19)24-21-12-8-11-20(17-21)23-15-16-25-22-13-6-3-7-14-22/h2-14,17-18,23-24H,15-16H2,1H3/t18-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50150430
PNG
(CHEMBL183277 | N*2*-[2-(4-Fluoro-phenoxy)-ethyl]-N...)
Show SMILES C[C@H](Nc1ccnc(NCCOc2ccc(F)cc2)n1)c1ccccc1
Show InChI InChI=1S/C20H21FN4O/c1-15(16-5-3-2-4-6-16)24-19-11-12-22-20(25-19)23-13-14-26-18-9-7-17(21)8-10-18/h2-12,15H,13-14H2,1H3,(H2,22,23,24,25)/t15-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against D2L receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150435
PNG
(CHEMBL182561 | N-(2-Phenoxy-ethyl)-N''-((S)-1-phen...)
Show SMILES C[C@H](Nc1cccc(NCCOc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C21H23N3O/c1-17(18-9-4-2-5-10-18)23-21-14-8-13-20(24-21)22-15-16-25-19-11-6-3-7-12-19/h2-14,17H,15-16H2,1H3,(H2,22,23,24)/t17-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50150434
PNG
(CHEMBL360658 | N-Phenethyl-N''-((S)-1-phenyl-ethyl...)
Show SMILES C[C@H](Nc1cccc(NCCc2ccccc2)n1)c1ccccc1
Show InChI InChI=1S/C21H23N3/c1-17(19-11-6-3-7-12-19)23-21-14-8-13-20(24-21)22-16-15-18-9-4-2-5-10-18/h2-14,17H,15-16H2,1H3,(H2,22,23,24)/t17-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against 5-Hydroxy tryptamine 7 receptor


Bioorg Med Chem Lett 14: 4249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.007
BindingDB Entry DOI: 10.7270/Q2BV7G34
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM142829
PNG
(US8940736, 391)
Show SMILES Cc1nc(Nc2nc(Nc3ccc4n(C)nc(C#N)c4c3)nn3c(cnc23)[N+]#[C-])nn1C
Show InChI InChI=1S/C19H15N13/c1-10-23-18(28-30(10)3)25-16-17-22-9-15(21-2)32(17)29-19(26-16)24-11-5-6-14-12(7-11)13(8-20)27-31(14)4/h5-7,9H,1,3-4H3,(H2,24,25,26,28,29)
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US Patent
n/an/a 0.0300n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50258790
PNG
((S)-2-amino-N-(3-(5-(5-(benzo[d]thiazol-7-yl)-1,3,...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2ncsc12)C(F)(F)F |r|
Show InChI InChI=1S/C23H18F3N7O2S/c1-12(27)20(34)28-10-13-4-2-5-14(8-13)33-17(9-18(32-33)23(24,25)26)22-31-30-21(35-22)15-6-3-7-16-19(15)36-11-29-16/h2-9,11-12H,10,27H2,1H3,(H,28,34)/t12-/m0/s1
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n/an/a 0.0400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation


Bioorg Med Chem Lett 19: 5063-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50301077
PNG
(2-(4-(2-(2,6-dimethoxyphenyl)-7-methyl-1H-benzo[d]...)
Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(OC)cccc1OC
Show InChI InChI=1S/C24H32N4O2/c1-16-14-18(17-8-11-28(12-9-17)13-10-25-2)15-19-23(16)27-24(26-19)22-20(29-3)6-5-7-21(22)30-4/h5-7,14-15,17,25H,8-13H2,1-4H3,(H,26,27)
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n/an/a 0.0700n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation


Bioorg Med Chem Lett 19: 5063-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM142775
PNG
(US8940736, 7)
Show SMILES OC1CCN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C20H18ClN9O/c21-17-15(5-11(7-22)6-16(17)29-4-3-14(31)10-29)26-20-27-18(25-12-1-2-12)19-24-9-13(8-23)30(19)28-20/h5-6,9,12,14,31H,1-4,10H2,(H2,25,26,27,28)
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n/an/a 0.0700n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM142774
PNG
(US8940736, 6)
Show SMILES Cn1nc(C#N)c2cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)ccc12
Show InChI InChI=1S/C18H14N10/c1-27-15-5-4-11(6-13(15)14(8-20)25-27)23-18-24-16(22-10-2-3-10)17-21-9-12(7-19)28(17)26-18/h4-6,9-10H,2-3H2,1H3,(H2,22,23,24,26)
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n/an/a 0.0900n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM142816
PNG
(US8940736, 281)
Show SMILES COC(=O)N[C@@H]1CCN(C[C@H]1OP(O)(O)=O)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r|
Show InChI InChI=1/C23H24ClN10O6P/c1-39-23(35)30-15-4-5-33(11-18(15)40-41(36,37)38)17-7-12(8-25)6-16(19(17)24)29-22-31-20(28-13-2-3-13)21-27-10-14(9-26)34(21)32-22/h6-7,10,13,15,18H,2-5,11H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32)/t15-,18-/s2
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n/an/a 0.0900n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM142792
PNG
(US8940736, 160)
Show SMILES CS(=O)(=O)C1CCN(C1)C1CN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1/C24H25ClN10O2S/c1-38(36,37)18-4-5-33(13-18)17-11-34(12-17)20-7-14(8-26)6-19(21(20)25)30-24-31-22(29-15-2-3-15)23-28-10-16(9-27)35(23)32-24/h6-7,10,15,17-18H,2-5,11-13H2,1H3,(H2,29,30,31,32)
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n/an/a 0.110n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM142835
PNG
(US8940736, 402)
Show SMILES OCc1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1S/C17H13ClN8O/c18-14-10(8-27)3-9(5-19)4-13(14)23-17-24-15(22-11-1-2-11)16-21-7-12(6-20)26(16)25-17/h3-4,7,11,27H,1-2,8H2,(H2,22,23,24,25)
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n/an/a 0.110n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM142777
PNG
(US8940736, 49)
Show SMILES Clc1c(NN2CCOCC2)cc(cc1Nc1nc(NC2CC2)c2ncc(C#N)n2n1)C#N
Show InChI InChI=1S/C20H19ClN10O/c21-17-15(7-12(9-22)8-16(17)28-30-3-5-32-6-4-30)26-20-27-18(25-13-1-2-13)19-24-11-14(10-23)31(19)29-20/h7-8,11,13,28H,1-6H2,(H2,25,26,27,29)
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n/an/a 0.110n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50301079
PNG
(2-(4-(2-(2-fluoro-6-methoxyphenyl)-7-methyl-1H-ben...)
Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(F)cccc1OC
Show InChI InChI=1S/C23H29FN4O/c1-15-13-17(16-7-10-28(11-8-16)12-9-25-2)14-19-22(15)27-23(26-19)21-18(24)5-4-6-20(21)29-3/h4-6,13-14,16,25H,7-12H2,1-3H3,(H,26,27)
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Article
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n/an/a 0.120n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation


Bioorg Med Chem Lett 19: 5063-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM142822
PNG
(US8940736, 328)
Show SMILES CCNc1nc(Nc2cc(cc(N3CC[C@H](NC(=O)OC)[C@@H](O)C3)c2Cl)C#N)nn2c(cnc12)[N+]#[C-] |r|
Show InChI InChI=1/C22H23ClN10O3/c1-4-26-19-20-27-10-17(25-2)33(20)31-21(30-19)28-14-7-12(9-24)8-15(18(14)23)32-6-5-13(16(34)11-32)29-22(35)36-3/h7-8,10,13,16,34H,4-6,11H2,1,3H3,(H,29,35)(H2,26,28,30,31)/t13-,16-/s2
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n/an/a 0.130n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM142829
PNG
(US8940736, 391)
Show SMILES Cc1nc(Nc2nc(Nc3ccc4n(C)nc(C#N)c4c3)nn3c(cnc23)[N+]#[C-])nn1C
Show InChI InChI=1S/C19H15N13/c1-10-23-18(28-30(10)3)25-16-17-22-9-15(21-2)32(17)29-19(26-16)24-11-5-6-14-12(7-11)13(8-20)27-31(14)4/h5-7,9H,1,3-4H3,(H2,24,25,26,28,29)
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n/an/a 0.130n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM142817
PNG
(US8940736, 285)
Show SMILES COC(=O)N[C@@H]1CCN(C[C@@H]1F)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r|
Show InChI InChI=1/C23H22ClFN10O2/c1-37-23(36)31-16-4-5-34(11-15(16)25)18-7-12(8-26)6-17(19(18)24)30-22-32-20(29-13-2-3-13)21-28-10-14(9-27)35(21)33-22/h6-7,10,13,15-16H,2-5,11H2,1H3,(H,31,36)(H2,29,30,32,33)/t15-,16+/s2
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n/an/a 0.140n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM142774
PNG
(US8940736, 6)
Show SMILES Cn1nc(C#N)c2cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)ccc12
Show InChI InChI=1S/C18H14N10/c1-27-15-5-4-11(6-13(15)14(8-20)25-27)23-18-24-16(22-10-2-3-10)17-21-9-12(7-19)28(17)26-18/h4-6,9-10H,2-3H2,1H3,(H2,22,23,24,26)
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n/an/a 0.150n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM142784
PNG
(US8940736, 117)
Show SMILES Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1N1CCC(CC1)NC1CCS(=O)(=O)C1)C#N
Show InChI InChI=1/C25H27ClN10O2S/c26-22-20(32-25-33-23(31-16-1-2-16)24-29-13-19(12-28)36(24)34-25)9-15(11-27)10-21(22)35-6-3-17(4-7-35)30-18-5-8-39(37,38)14-18/h9-10,13,16-18,30H,1-8,14H2,(H2,31,32,33,34)
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n/an/a 0.150n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM142806
PNG
(US8940736, 229)
Show SMILES CC(=O)N1CCC(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N
Show InChI InChI=1S/C23H22ClN9O/c1-13(34)32-6-4-15(5-7-32)18-8-14(10-25)9-19(20(18)24)29-23-30-21(28-16-2-3-16)22-27-12-17(11-26)33(22)31-23/h8-9,12,15-16H,2-7H2,1H3,(H2,28,29,30,31)
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n/an/a 0.160n/an/an/an/a7.430



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of protein kinases can be readily tested by assays known to those skilled in th...


US Patent US8940736 (2015)


BindingDB Entry DOI: 10.7270/Q2QV3K72
More data for this
Ligand-Target Pair
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