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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 = 'BDBM50090099'   
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


(Rattus norvegicus (rat))
BDBM50090099
PNG
(5'-Amidinomethyl-17-cyclopropylmethyl-6,7-didehydr...)
Show SMILES NC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:12:13:25:17.23.22,31:14:25:17.23.22|
Show InChI InChI=1S/C28H30N4O3/c29-22(30)10-15-3-5-19-17(9-15)18-12-28(34)21-11-16-4-6-20(33)25-23(16)27(28,26(35-25)24(18)31-19)7-8-32(21)13-14-1-2-14/h3-6,9,14,21,26,31,33-34H,1-2,7-8,10-13H2,(H3,29,30)/t21?,26-,27-,28+/m0/s1
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PC cid
PC sid
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Similars

PubMed
0.214n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity on HEK-293 cells transiently transfected with plasmids encoding the rat Opioid receptor kappa 1


J Med Chem 43: 2759-69 (2000)


BindingDB Entry DOI: 10.7270/Q2JD4W2W
More data for this
Ligand-Target Pair