Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50116620'   

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))	BDBM50116620 (4-Guanidino-N-[5-(3-hydroxy-phenyl)-4-methyl-2-phe...) Show SMILES CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCCNC(N)=N |THB:0:1:17:13.14.15,4:3:17:13.14.15| Show InChI InChI=1S/C28H39N5O2/c1-20-19-33(14-12-21-7-3-2-4-8-21)24-16-23(32-26(35)11-6-13-31-27(29)30)17-28(20,18-24)22-9-5-10-25(34)15-22/h2-5,7-10,15,20,23-24,34H,6,11-14,16-19H2,1H3,(H,32,35)(H4,29,30,31)/t20?,23-,24?,28?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Ability to displace [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain				J Med Chem 45: 3524-30 (2002) BindingDB Entry DOI: 10.7270/Q2959J8R
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