Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50122543'   

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))	BDBM50122543 (4,13-dibromo-20-azapentacyclo[7.6.5.02,7.010,15.01...) Show SMILES BrC1=CC[C@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]([C@@H]4CCCN34)C2=C1 |wU:5.20,14.22,4.23,15.21,c:24,t:1,TLB:16:15:20.4:13.7.6,8:7:19.15:20.4,18:19:20.4:13.7.6,THB:3:4:19.15:13.7.6,12:13:19.15:20.4,(13.03,-1.48,;13.04,-3.02,;14.38,-3.79,;14.38,-5.33,;13.04,-6.1,;13.26,-9.97,;11.71,-9.97,;10.38,-9.2,;9.05,-9.97,;7.71,-9.2,;7.71,-7.66,;6.37,-6.89,;9.05,-6.87,;10.38,-7.64,;11.71,-6.87,;15.9,-8.45,;17.18,-9.29,;16.78,-10.76,;15.24,-10.86,;14.7,-9.41,;11.71,-5.33,;11.71,-3.79,)| Show InChI InChI=1S/C19H19Br2N/c20-12-4-3-11-8-18-14-6-5-13(21)10-16(14)19(15(11)9-12)17-2-1-7-22(17)18/h3-5,9-10,14,17-19H,1-2,6-8H2/t14-,17+,18+,19+/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	7.40E+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