Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a/V1b/V2 receptor' and Ligand = 'BDBM50001363'   

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/V1b/V2 receptor (RAT-Rattus norvegicus (Rat))	BDBM50001363 ((1R-enantiomer)7,7-dimethyl-1-spiro[2,3-dihydro-1H...) Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C(=O)C2 Show InChI InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-6,18H,7-16H2,1-2H3/t18?,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Half-maximal inhibition of binding of [3H]- vasopressin to the vasopressin receptor 2 in rat kidney				J Med Chem 35: 3919-27 (1992) BindingDB Entry DOI: 10.7270/Q2N015G7
					More data for this Ligand-Target Pair
Vasopressin V1a/V1b/V2 receptor (RAT-Rattus norvegicus (Rat))	BDBM50001363 ((1R-enantiomer)7,7-dimethyl-1-spiro[2,3-dihydro-1H...) Show SMILES CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C(=O)C2 Show InChI InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-6,18H,7-16H2,1-2H3/t18?,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Half-maximal inhibition of binding of [3H]vasopressin to vasopressin receptor 1 in rat liver				J Med Chem 35: 3919-27 (1992) BindingDB Entry DOI: 10.7270/Q2N015G7
					More data for this Ligand-Target Pair