Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50261630'   

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))	BDBM50261630 ((1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-N-[2...) Show SMILES C[C@H]1C2Cc3ccc4c(NCCc5ccc(cc5)-c5ccccc5)ncnc4c3[C@@]1(C)CCN2CC1CC1 |r,TLB:27:28:1:33.31.32,34:33:1:4.28.3| Show InChI InChI=1S/C34H38N4/c1-23-30-20-28-14-15-29-32(31(28)34(23,2)17-19-38(30)21-25-8-9-25)36-22-37-33(29)35-18-16-24-10-12-27(13-11-24)26-6-4-3-5-7-26/h3-7,10-15,22-23,25,30H,8-9,16-21H2,1-2H3,(H,35,36,37)/t23-,30?,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem 16: 5653-64 (2008) Article DOI: 10.1016/j.bmc.2008.03.066 BindingDB Entry DOI: 10.7270/Q23X87JZ
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