Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50122544'   

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))	BDBM50122544 (4,13-difluoro-20-azapentacyclo[7.6.5.02,7.010,15.0...) Show SMILES FC1=CC[C@H]2[C@@H]3Cc4ccc(F)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,(5.72,2.88,;5.73,1.34,;7.07,.57,;7.07,-.96,;5.73,-1.73,;5.95,-5.6,;4.4,-5.6,;3.08,-4.83,;1.75,-5.6,;.4,-4.83,;.4,-3.29,;-.69,-2.19,;1.75,-2.52,;3.08,-3.29,;4.4,-2.52,;8.58,-4.09,;9.87,-4.92,;9.47,-6.41,;7.93,-6.49,;7.39,-5.04,;4.4,-.96,;4.4,.57,)| Show InChI InChI=1S/C19H19F2N/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	Article PubMed	n/a	n/a	>6.40E+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