Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50146305'   

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))	BDBM50146305 (Biphenyl-2-carboxylic acid [4-(8-methyl-3,4,11,11a...) Show SMILES Cc1ccc2CN3CCSCC3CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c2c1 Show InChI InChI=1S/C33H31N3O2S/c1-23-11-12-26-20-35-17-18-39-22-28(35)21-36(31(26)19-23)33(38)25-13-15-27(16-14-25)34-32(37)30-10-6-5-9-29(30)24-7-3-2-4-8-24/h2-16,19,28H,17-18,20-22H2,1H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of [3H]AVP binding to recombinant human vasopressin V1a receptor				Bioorg Med Chem Lett 14: 2747-52 (2004) Article DOI: 10.1016/j.bmcl.2004.03.083 BindingDB Entry DOI: 10.7270/Q2QN679W
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50146305 (Biphenyl-2-carboxylic acid [4-(8-methyl-3,4,11,11a...) Show SMILES Cc1ccc2CN3CCSCC3CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c2c1 Show InChI InChI=1S/C33H31N3O2S/c1-23-11-12-26-20-35-17-18-39-22-28(35)21-36(31(26)19-23)33(38)25-13-15-27(16-14-25)34-32(37)30-10-6-5-9-29(30)24-7-3-2-4-8-24/h2-16,19,28H,17-18,20-22H2,1H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of 1 nM AVP-induced calcium mobilisation in cells expressing human vasopressin V1a receptor				Bioorg Med Chem Lett 14: 2747-52 (2004) Article DOI: 10.1016/j.bmcl.2004.03.083 BindingDB Entry DOI: 10.7270/Q2QN679W
					More data for this Ligand-Target Pair