Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50001589'   

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))	BDBM50001589 (CHEMBL3237721) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C34H45N5O8S2/c1-18-11-22(41)12-19(2)23(18)13-24(35)28(42)37-26-17-48-9-10-49-33(3,4)27(30(44)36-25(16-40)31(45)46)38-32(47)34(39-29(26)43)14-20-7-5-6-8-21(20)15-34/h5-8,11-12,24-27,40-41H,9-10,13-17,35H2,1-4H3,(H,36,44)(H,37,42)(H,38,47)(H,39,43)(H,45,46)/t24-,25-,26+,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 1 hr by liquid scintillation counting analys...				J Med Chem 57: 3148-53 (2014) Article DOI: 10.1021/jm5002088 BindingDB Entry DOI: 10.7270/Q26T0P4T
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