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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 = 'BDBM50010532'   
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))
BDBM50010532
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1
Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1
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Similars

Article
PubMed
n/an/a 0.0600n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)


J Med Chem 33: 206-12 (1990)


Article DOI: 10.1021/jm00163a034
BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair