Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50175274'   

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))	BDBM50175274 (CHEMBL3809864 | US10189809, Compound I-97) Show SMILES Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1 Show InChI InChI=1S/C17H13FN6O/c18-12-4-2-1-3-11(12)10-24-15(13-6-8-25-23-13)9-14(22-24)17-20-7-5-16(19)21-17/h1-9H,10H2,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ironwood Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to KOP receptor (unknown origin) at 10 uM				ACS Med Chem Lett 7: 465-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00479 BindingDB Entry DOI: 10.7270/Q2HM5BCF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50175274 (CHEMBL3809864 | US10189809, Compound I-97) Show SMILES Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1 Show InChI InChI=1S/C17H13FN6O/c18-12-4-2-1-3-11(12)10-24-15(13-6-8-25-23-13)9-14(22-24)17-20-7-5-16(19)21-17/h1-9H,10H2,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Ironwood Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at KOP receptor (unknown origin)				ACS Med Chem Lett 7: 465-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00479 BindingDB Entry DOI: 10.7270/Q2HM5BCF
					More data for this Ligand-Target Pair