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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 = 'BDBM50402782'   
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))		BDBM50402782
PNG
(CHEMBL2208345)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |TLB:15:14:1:4.9.3,8:9:1:14.13.12|
Show InChI InChI=1S/C34H37F3N2O2/c1-22-31-20-27-9-10-28(19-30(27)33(22,2)16-18-39(31)21-24-3-4-24)32(40)38-17-15-23-5-7-25(8-6-23)26-11-13-29(14-12-26)41-34(35,36)37/h5-14,19,22,24,31H,3-4,15-18,20-21H2,1-2H3,(H,38,40)
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Article
PubMed
 5.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

Bioorg Med Chem Lett 22: 7340-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.081
BindingDB Entry DOI: 10.7270/Q2N017Q6
More data for this
Ligand-Target Pair