Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50122526'   

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))	BDBM50122526 (17-cyclopropylmethyl-16-methyl-13-methylcarbonylox...) Show SMILES C[C@@H]1[C@@H]2C3=CC(OC(C)=O)=CC[C@H]3[C@H](Cc3ccc(OC(C)=O)cc23)N1CC1CC1 |wU:2.2,13.27,12.11,1.0,c:9,t:3,TLB:0:1:3.12:24.15.14,23:24:25.1:3.12,THB:16:15:25.1:3.12,26:25:3.12:24.15.14,11:12:25.1:24.15.14,(10.46,-2.45,;9.36,-3.55,;5.54,-2.29,;5.54,-.73,;5.54,.81,;6.87,1.58,;6.87,3.12,;8.2,3.9,;8.2,5.44,;9.53,3.13,;8.2,.81,;8.2,-.73,;6.87,-1.5,;7.08,-5.37,;5.54,-5.37,;4.21,-4.6,;2.88,-5.37,;1.54,-4.6,;1.54,-3.06,;.19,-2.27,;.19,-.73,;1.54,.04,;-1.14,.06,;2.88,-2.29,;4.21,-3.06,;8.52,-4.81,;9.48,-6.03,;8.92,-7.47,;7.72,-8.41,;9.15,-8.98,)| Show InChI InChI=1S/C25H29NO4/c1-14-25-22-11-19(29-15(2)27)7-6-18(22)10-24(26(14)13-17-4-5-17)21-9-8-20(12-23(21)25)30-16(3)28/h6-8,11-12,14,17,21,24-25H,4-5,9-10,13H2,1-3H3/t14-,21-,24+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells				J Med Chem 46: 34-48 (2002) Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT
					More data for this Ligand-Target Pair