Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50122532'   

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))	BDBM50122532 (20-azapentacyclo[7.6.5.02,7.010,15.016,20]icosa-2(...) Show SMILES C1C[C@H]2[C@@H]3C4=CC=CC[C@H]4[C@H](Cc4ccccc34)N2C1 |wU:10.20,3.3,9.9,2.21,c:6,t:4,TLB:16:17:18.2:4.9,THB:13:12:18.2:4.9,19:18:4.9:17.11.12,1:2:4.9:17.11.12,8:9:18.2:17.11.12,(8.93,-5.62,;9.33,-4.14,;8.05,-3.29,;3.86,-1.71,;3.86,-.17,;3.86,1.38,;5.19,2.15,;6.53,1.38,;6.53,-.17,;5.19,-.94,;5.41,-4.81,;3.86,-4.81,;2.53,-4.04,;1.2,-4.81,;-.14,-4.04,;-.14,-2.5,;1.2,-1.71,;2.53,-2.48,;6.85,-4.26,;7.41,-5.7,)| Show InChI InChI=1S/C19H21N/c1-2-7-14-13(6-1)12-18-15-8-3-4-9-16(15)19(14)17-10-5-11-20(17)18/h1-4,6-7,9,15,17-19H,5,8,10-12H2/t15-,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	6.10E+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