Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50248857'   

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))	BDBM50248857 ((1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10-hydro...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OC(=O)Cc1ccccc1)NC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C37H38N2O5/c40-29-15-14-27-22-30-37(44-32(42)21-25-9-5-2-6-10-25)18-17-28(38-31(41)16-13-24-7-3-1-4-8-24)35-36(37,33(27)34(29)43-35)19-20-39(30)23-26-11-12-26/h1-10,13-16,26,28,30,35,40H,11-12,17-23H2,(H,38,41)/b16-13+/t28-,30-,35+,36+,37-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane by liquid scintillation and luminescence counter				J Med Chem 52: 1546-52 (2009) Article DOI: 10.1021/jm8015552 BindingDB Entry DOI: 10.7270/Q2513Z24
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50248857 ((1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10-hydro...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OC(=O)Cc1ccccc1)NC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C37H38N2O5/c40-29-15-14-27-22-30-37(44-32(42)21-25-9-5-2-6-10-25)18-17-28(38-31(41)16-13-24-7-3-1-4-8-24)35-36(37,33(27)34(29)43-35)19-20-39(30)23-26-11-12-26/h1-10,13-16,26,28,30,35,40H,11-12,17-23H2,(H,38,41)/b16-13+/t28-,30-,35+,36+,37-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.490	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 52: 1546-52 (2009) Article DOI: 10.1021/jm8015552 BindingDB Entry DOI: 10.7270/Q2513Z24
					More data for this Ligand-Target Pair