Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50119812'   

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))	BDBM50119812 (1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...) Show SMILES Clc1ccc2N(C[C@@H]3C4CCC(C4)N3Cc2c1)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 |TLB:6:7:12:10.9,THB:14:13:12:10.9| Show InChI InChI=1S/C28H25Cl2N3O2/c29-20-8-12-25-19(13-20)15-32-22-11-7-18(14-22)26(32)16-33(25)28(35)17-5-9-21(10-6-17)31-27(34)23-3-1-2-4-24(23)30/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,31,34)/t18?,22?,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of AVP mediated activation of human vasopressin V1a receptor expressed in HEK-293 cells				Bioorg Med Chem Lett 12: 3081-4 (2002) BindingDB Entry DOI: 10.7270/Q22N51NM
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50119812 (1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...) Show SMILES Clc1ccc2N(C[C@@H]3C4CCC(C4)N3Cc2c1)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 |TLB:6:7:12:10.9,THB:14:13:12:10.9| Show InChI InChI=1S/C28H25Cl2N3O2/c29-20-8-12-25-19(13-20)15-32-22-11-7-18(14-22)26(32)16-33(25)28(35)17-5-9-21(10-6-17)31-27(34)23-3-1-2-4-24(23)30/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,31,34)/t18?,22?,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of AVP mediated activation of human vasopressin V2 receptor expressed in HEK-293 cells				Bioorg Med Chem Lett 12: 3081-4 (2002) BindingDB Entry DOI: 10.7270/Q22N51NM
					More data for this Ligand-Target Pair