Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50224867'   

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))	BDBM50224867 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccccc1-c1ccccc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C33H38N2O/c1-23-31-21-27-14-15-28(20-30(27)33(23,2)17-19-35(31)22-24-12-13-24)32(36)34-18-16-26-10-6-7-11-29(26)25-8-4-3-5-9-25/h3-11,14-15,20,23-24,31H,12-13,16-19,21-22H2,1-2H3,(H,34,36)/t23-,31?,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 6516-20 (2007) Article DOI: 10.1016/j.bmcl.2007.09.082 BindingDB Entry DOI: 10.7270/Q21R6RCT
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50224867 ((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccccc1-c1ccccc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C33H38N2O/c1-23-31-21-27-14-15-28(20-30(27)33(23,2)17-19-35(31)22-24-12-13-24)32(36)34-18-16-26-10-6-7-11-29(26)25-8-4-3-5-9-25/h3-11,14-15,20,23-24,31H,12-13,16-19,21-22H2,1-2H3,(H,34,36)/t23-,31?,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	42	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay				Bioorg Med Chem Lett 17: 6516-20 (2007) Article DOI: 10.1016/j.bmcl.2007.09.082 BindingDB Entry DOI: 10.7270/Q21R6RCT
					More data for this Ligand-Target Pair