Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50199931'   

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))	BDBM50199931 (3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahy...) Show SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(c1)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C23H29N3O/c1-16-14-26-15-21(17-7-4-3-5-8-17)25-13-20(26)12-23(16,2)19-10-6-9-18(11-19)22(24)27/h3-11,16,20-21,25H,12-15H2,1-2H3,(H2,24,27)/t16-,20+,21+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cells				J Med Chem 49: 7290-306 (2006) Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50199931 (3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahy...) Show SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(c1)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C23H29N3O/c1-16-14-26-15-21(17-7-4-3-5-8-17)25-13-20(26)12-23(16,2)19-10-6-9-18(11-19)22(24)27/h3-11,16,20-21,25H,12-15H2,1-2H3,(H2,24,27)/t16-,20+,21+,23+/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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Antagonist activity assessed as inhibition of U50488-stimulated [35S]GTP-gamma-S binding to human kappa opioid receptor expressed in CHO cells				J Med Chem 49: 7290-306 (2006) Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8
					More data for this Ligand-Target Pair