Compile Data Set for Download or QSAR

Found 1027 hits with Last Name = 'purandare' and Initial = 'av'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50150431 ((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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150439 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150430 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150428 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150425 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150446 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150441 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150422 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150438 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150433 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150436 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150432 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150440 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150437 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150424 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150423 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150444 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150442 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150427 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 ((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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150426 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150445 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 ((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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	476	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150443 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150429 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150435 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50150434 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	7.4	30
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 ((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	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/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 (US8940736, 7) Show SMILES OC1CCN(C1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N Show InChI InChI=1S/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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	7.4	30
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))	BDBM50301077 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM142774 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	7.4	30
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 (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=1S/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-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	7.4	30
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 (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=1S/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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	7.4	30
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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	7.4	30
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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	7.4	30
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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/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 (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=1S/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-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	30
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))	BDBM142829 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	7.4	30
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))	BDBM142817 (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=1S/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+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	7.4	30
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 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	7.4	30
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 (US8940736, 117) Show SMILES Clc1c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)cc(cc1N1CCC(CC1)NC1CCS(=O)(=O)C1)C#N Show InChI InChI=1S/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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	7.4	30
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 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	7.4	30
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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