Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50098448'   

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 (Rattus norvegicus (rat))	BDBM50098448 (4-[(1,3-Dimethyl-piperidin-4-yl)-(3-methoxy-phenyl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(C)C[C@@H]1C)c1cccc(OC)c1 Show InChI InChI=1S/C25H35N3O2/c1-6-27(7-2)25(29)20-11-13-21(14-12-20)28(22-9-8-10-23(17-22)30-5)24-15-16-26(4)18-19(24)3/h8-14,17,19,24H,6-7,15-16,18H2,1-5H3/t19-,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	>6.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity of [3H]U-69593 to opioid receptor kappa 1 from rat brain				J Med Chem 44: 972-87 (2001) BindingDB Entry DOI: 10.7270/Q2V69K8G
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50098448 (4-[(1,3-Dimethyl-piperidin-4-yl)-(3-methoxy-phenyl...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(C)C[C@@H]1C)c1cccc(OC)c1 Show InChI InChI=1S/C25H35N3O2/c1-6-27(7-2)25(29)20-11-13-21(14-12-20)28(22-9-8-10-23(17-22)30-5)24-15-16-26(4)18-19(24)3/h8-14,17,19,24H,6-7,15-16,18H2,1-5H3/t19-,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity of [3H]U-69593 to opioid receptor kappa 1 from rat brain				J Med Chem 44: 972-87 (2001) BindingDB Entry DOI: 10.7270/Q2V69K8G
					More data for this Ligand-Target Pair