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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50122853'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50122853
PNG
(7N-phenethyl-22-cyclopropylmethyl-2,16-dihydroxy-1...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12|
Show InChI InChI=1S/C35H35N3O4/c39-27-11-9-22-17-28-35(41)18-25-24-16-23(33(40)36-14-12-20-4-2-1-3-5-20)8-10-26(24)37-30(25)32-34(35,29(22)31(27)42-32)13-15-38(28)19-21-6-7-21/h1-5,8-11,16,21,28,32,37,39,41H,6-7,12-15,17-19H2,(H,36,40)/t28?,32-,34-,35+/m0/s1
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Similars
Article
PubMed
 2.20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells

J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
BindingDB Entry DOI: 10.7270/Q2PK0GW4
More data for this
Ligand-Target Pair