Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50094765'   

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 (Cavia porcellus (domestic guinea pig))	BDBM50094765 (CHEMBL3589706) Show SMILES Oc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN4[C@@H](Cc5ccccc5)CN=C4C=C3N2)cc1 |r,c:31,34| Show InChI InChI=1S/C23H19N5O2/c24-18-13-25-11-9-16(18)22(29)27-21-23(30)28-12-10-15-7-4-8-17(20(15)28)19(26-21)14-5-2-1-3-6-14/h1-9,11,13,21H,10,12,24H2,(H,27,29)/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cortices and cerebella by competition binding assay				J Med Chem 58: 4905-17 (2015) Article DOI: 10.1021/jm501637c BindingDB Entry DOI: 10.7270/Q2TB18NQ
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