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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 = 'BDBM50098678'   
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


(Cavia porcellus (domestic guinea pig))		BDBM50098678
PNG
(17-(1-methylethyl)-6,7-dehydro-4,5alpha-epoxy-3,14...)
Show SMILES CC(C)N1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:26:11:14:3.5.4,9:10:14:3.5.4|
Show InChI InChI=1S/C25H26N2O3/c1-13(2)27-10-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(12-25(24,29)19(27)11-14)15-5-3-4-6-17(15)26-21/h3-8,13,19,23,26,28-29H,9-12H2,1-2H3/t19?,23-,24-,25+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars
PubMed
 6.20E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 at opioid receptor kappa 1

J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair