Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50096738'   

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))	BDBM50096738 (CHEMBL3580747) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC1=O)C(N)=O |r| Show InChI InChI=1S/C40H48F3N7O7/c1-22-16-27(51)17-23(2)28(22)20-29(44)36(54)47-30-10-6-7-15-46-34(52)21-31(35(45)53)48-38(56)32(18-24-8-4-3-5-9-24)50-39(57)33(49-37(30)55)19-25-11-13-26(14-12-25)40(41,42)43/h3-5,8-9,11-14,16-17,29-33,51H,6-7,10,15,18-21,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30+,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis				ACS Med Chem Lett 6: 579-83 (2015) Article DOI: 10.1021/acsmedchemlett.5b00056 BindingDB Entry DOI: 10.7270/Q2FF3V3Z
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