Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50101617'   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50101617 (1-Adamantan-1-yl-3-{2-[2-amino-3-(4-hydroxy-2,6-di...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:32:33:37:31.30.36,THB:32:31:37:33.38.34,34:35:30:33.38.32,34:33:30:35.37.36| Show InChI InChI=1S/C32H42N4O3/c1-19-7-27(37)8-20(2)28(19)13-29(33)30(38)36-18-25-6-4-3-5-24(25)12-26(36)17-34-31(39)35-32-14-21-9-22(15-32)11-23(10-21)16-32/h3-8,21-23,26,29,37H,9-18,33H2,1-2H3,(H2,34,35,39)/t21?,22?,23?,26-,29-,32?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1				J Med Chem 44: 2387-90 (2001) BindingDB Entry DOI: 10.7270/Q25B01RW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50101617 (1-Adamantan-1-yl-3-{2-[2-amino-3-(4-hydroxy-2,6-di...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:32:33:37:31.30.36,THB:32:31:37:33.38.34,34:35:30:33.38.32,34:33:30:35.37.36| Show InChI InChI=1S/C32H42N4O3/c1-19-7-27(37)8-20(2)28(19)13-29(33)30(38)36-18-25-6-4-3-5-24(25)12-26(36)17-34-31(39)35-32-14-21-9-22(15-32)11-23(10-21)16-32/h3-8,21-23,26,29,37H,9-18,33H2,1-2H3,(H2,34,35,39)/t21?,22?,23?,26-,29-,32?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1				J Med Chem 44: 2387-90 (2001) BindingDB Entry DOI: 10.7270/Q25B01RW
					More data for this Ligand-Target Pair