Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50147229'   

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
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50147229 (3'N-(2-hexahydro-1-pyridinylethyl)-1-[4-(5-fluoro-...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCCC2)Cc2ccccc12 |c:27| Show InChI InChI=1S/C37H41FN4O3/c1-26-9-12-30(38)23-32(26)35(44)40-31-13-10-27(11-14-31)36(45)42-21-17-37(24-28-7-3-4-8-33(28)42)16-15-29(25-37)34(43)39-18-22-41-19-5-2-6-20-41/h3-4,7-14,23,25H,2,5-6,15-22,24H2,1H3,(H,39,43)(H,40,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor				Bioorg Med Chem Lett 14: 3143-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.016 BindingDB Entry DOI: 10.7270/Q2Z60PMQ
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50147229 (3'N-(2-hexahydro-1-pyridinylethyl)-1-[4-(5-fluoro-...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCCC2)Cc2ccccc12 |c:27| Show InChI InChI=1S/C37H41FN4O3/c1-26-9-12-30(38)23-32(26)35(44)40-31-13-10-27(11-14-31)36(45)42-21-17-37(24-28-7-3-4-8-33(28)42)16-15-29(25-37)34(43)39-18-22-41-19-5-2-6-20-41/h3-4,7-14,23,25H,2,5-6,15-22,24H2,1H3,(H,39,43)(H,40,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor (Compound 7o)				Bioorg Med Chem Lett 14: 3143-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.016 BindingDB Entry DOI: 10.7270/Q2Z60PMQ
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50147229 (3'N-(2-hexahydro-1-pyridinylethyl)-1-[4-(5-fluoro-...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCCC2)Cc2ccccc12 |c:27| Show InChI InChI=1S/C37H41FN4O3/c1-26-9-12-30(38)23-32(26)35(44)40-31-13-10-27(11-14-31)36(45)42-21-17-37(24-28-7-3-4-8-33(28)42)16-15-29(25-37)34(43)39-18-22-41-19-5-2-6-20-41/h3-4,7-14,23,25H,2,5-6,15-22,24H2,1H3,(H,39,43)(H,40,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Evaluated for intracellular calcium mobilization in HEK293 cells transfected to express human vasopressin V1a receptor				Bioorg Med Chem Lett 14: 3143-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.016 BindingDB Entry DOI: 10.7270/Q2Z60PMQ
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50147229 (3'N-(2-hexahydro-1-pyridinylethyl)-1-[4-(5-fluoro-...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCCC2)Cc2ccccc12 |c:27| Show InChI InChI=1S/C37H41FN4O3/c1-26-9-12-30(38)23-32(26)35(44)40-31-13-10-27(11-14-31)36(45)42-21-17-37(24-28-7-3-4-8-33(28)42)16-15-29(25-37)34(43)39-18-22-41-19-5-2-6-20-41/h3-4,7-14,23,25H,2,5-6,15-22,24H2,1H3,(H,39,43)(H,40,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Evaluated for intracellular calcium mobilization in HEK- 293 cells transfected to express human vasopressin V1a receptor (Compound 7o)				Bioorg Med Chem Lett 14: 3143-6 (2004) Article DOI: 10.1016/j.bmcl.2004.04.016 BindingDB Entry DOI: 10.7270/Q2Z60PMQ
					More data for this Ligand-Target Pair