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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 = 'BDBM50036138'   
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))
BDBM50036138
PNG
(5-amino-2-[22-cyclopropylmethyl-2,16-dihydroxy-(2S...)
Show SMILES NCCC[C@@H](NC(=O)c1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)C4(CCN5CC1CC1)c67)C(O)=O |TLB:34:33:15:38.19.18,24:38:15:33.31.32,16:15:38.19.18:33.31.32,THB:14:15:38.19.18:33.31.32|
Show InChI InChI=1S/C32H36N4O6/c33-11-2-5-21(30(39)40)34-29(38)19-4-1-3-18-20-14-32(41)23-13-17-8-9-22(37)27-24(17)31(32,10-12-36(23)15-16-6-7-16)28(42-27)26(20)35-25(18)19/h1,3-4,8-9,16,21,23,28,35,37,41H,2,5-7,10-15,33H2,(H,34,38)(H,39,40)/t21-,23?,28+,31?,32-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
57n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
The opioid receptor affinity(Ki) was evaluated by competition with 9 (Opioid receptor kappa 1) on guinea pig brain membranes


J Med Chem 38: 402-7 (1995)


BindingDB Entry DOI: 10.7270/Q22N52W5
More data for this
Ligand-Target Pair