Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50087548'   

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))	BDBM50087548 (CHEMBL350383 | N-[4-(4,5-Dihydro-2H-9-thia-1,2,6-t...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCc2c[nH]nc2-c2sccc12 Show InChI InChI=1S/C24H20N4O2S/c1-15-4-2-3-5-19(15)23(29)26-18-8-6-16(7-9-18)24(30)28-12-10-17-14-25-27-21(17)22-20(28)11-13-31-22/h2-9,11,13-14H,10,12H2,1H3,(H,25,27)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro binding affinity to human V1a receptor				Bioorg Med Chem Lett 10: 695-8 (2000) BindingDB Entry DOI: 10.7270/Q2X34WP8
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50087548 (CHEMBL350383 | N-[4-(4,5-Dihydro-2H-9-thia-1,2,6-t...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCc2c[nH]nc2-c2sccc12 Show InChI InChI=1S/C24H20N4O2S/c1-15-4-2-3-5-19(15)23(29)26-18-8-6-16(7-9-18)24(30)28-12-10-17-14-25-27-21(17)22-20(28)11-13-31-22/h2-9,11,13-14H,10,12H2,1H3,(H,25,27)(H,26,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro binding affinity for rat V1a receptor				Bioorg Med Chem Lett 10: 695-8 (2000) BindingDB Entry DOI: 10.7270/Q2X34WP8
					More data for this Ligand-Target Pair