Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50029643'   

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 (RAT)	BDBM50029643 (1-(1-{4-[2-(1-Acetyl-piperidin-2-yl)-ethoxy]-benzo...) Show SMILES CC(=O)N1CCCCC1CCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C29H35N3O5/c1-21(33)31-16-5-4-7-24(31)15-19-36-26-11-9-22(10-12-26)28(34)30-17-13-25(14-18-30)32-27-8-3-2-6-23(27)20-37-29(32)35/h2-3,6,8-12,24-25H,4-5,7,13-20H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in rat liver				J Med Chem 38: 4634-6 (1995) BindingDB Entry DOI: 10.7270/Q2ZW1JXC
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50029643 (1-(1-{4-[2-(1-Acetyl-piperidin-2-yl)-ethoxy]-benzo...) Show SMILES CC(=O)N1CCCCC1CCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C29H35N3O5/c1-21(33)31-16-5-4-7-24(31)15-19-36-26-11-9-22(10-12-26)28(34)30-17-13-25(14-18-30)32-27-8-3-2-6-23(27)20-37-29(32)35/h2-3,6,8-12,24-25H,4-5,7,13-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in human platelets				J Med Chem 38: 4634-6 (1995) BindingDB Entry DOI: 10.7270/Q2ZW1JXC
					More data for this Ligand-Target Pair