Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50084993'   

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))	BDBM50084993 ((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1cc2ccccc2o1 Show InChI InChI=1S/C29H28N2O5/c1-16-9-22(32)10-17(2)23(16)14-24(30)28(33)31-15-21-11-20(8-7-18(21)12-25(31)29(34)35)27-13-19-5-3-4-6-26(19)36-27/h3-11,13,24-25,32H,12,14-15,30H2,1-2H3,(H,34,35)/t24?,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN				Bioorg Med Chem Lett 10: 167-70 (2000) BindingDB Entry DOI: 10.7270/Q2RV0MXM
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