Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50122518'   

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))	BDBM50122518 (17-allyl-16-methyl-17-azatetracyclo[7.6.2.02,7.010...) Show SMILES C[C@@H]1[C@@H]2C3=CC=CC[C@H]3[C@H](Cc3ccccc23)N1CC=C |wU:9.19,2.2,8.8,1.0,c:5,t:3,TLB:15:16:17.1:3.8,0:1:3.8:16.10.11,THB:12:11:17.1:3.8,18:17:3.8:16.10.11,7:8:17.1:16.10.11,(9.27,-1.22,;7.84,-1.78,;4.09,-.54,;4.08,1,;4.08,2.56,;5.41,3.33,;6.74,2.56,;6.75,1.02,;5.41,.23,;5.63,-3.62,;4.09,-3.62,;2.76,-2.85,;1.42,-3.62,;.09,-2.85,;.09,-1.31,;1.42,-.54,;2.76,-1.31,;7.08,-3.11,;8.06,-4.29,;7.54,-5.74,;8.52,-6.91,)| Show InChI InChI=1S/C20H23N/c1-3-12-21-14(2)20-16-9-5-4-8-15(16)13-19(21)17-10-6-7-11-18(17)20/h3-9,11,14,17,19-20H,1,10,12-13H2,2H3/t14-,17-,19+,20+/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	>4.00E+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
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