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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 = 'BDBM50091003'   
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))
BDBM50091003
PNG
(2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...)
Show SMILES CCCC(=N)NCCCCNC(=O)C(CC(C)C)NC(=O)[C@@]1(CC1CN1CC[C@]2(C)C(C)C1Cc1ccc(O)cc21)c1ccccc1 |TLB:31:30:40.34.33:25.27.26|
Show InChI InChI=1S/C39H57N5O3/c1-6-12-35(40)41-18-10-11-19-42-36(46)33(21-26(2)3)43-37(47)39(29-13-8-7-9-14-29)24-30(39)25-44-20-17-38(5)27(4)34(44)22-28-15-16-31(45)23-32(28)38/h7-9,13-16,23,26-27,30,33-34,45H,6,10-12,17-22,24-25H2,1-5H3,(H2,40,41)(H,42,46)(H,43,47)/t27?,30?,33?,34?,38-,39+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
204n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellar.


J Med Chem 43: 2992-3004 (2000)


BindingDB Entry DOI: 10.7270/Q2862H5C
More data for this
Ligand-Target Pair