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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50061062'   
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


(Mus musculus (Mouse))
BDBM50061062
PNG
(3-((4aS,11aR)-2-Ethyl-1,2,3,4,5,6,11,11a-octahydro...)
Show SMILES CCN1CC[C@@]2(Cc3[nH]c4ccccc4c3C[C@H]2C1)c1cccc(O)c1
Show InChI InChI=1S/C23H26N2O/c1-2-25-11-10-23(16-6-5-7-18(26)12-16)14-22-20(13-17(23)15-25)19-8-3-4-9-21(19)24-22/h3-9,12,17,24,26H,2,10-11,13-15H2,1H3/t17-,23+/m0/s1
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
334n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 using [3H]-U-69,593 as radioligand


J Med Chem 40: 3192-8 (1997)


Article DOI: 10.1021/jm9608218
BindingDB Entry DOI: 10.7270/Q29C6Z3D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50061062
PNG
(3-((4aS,11aR)-2-Ethyl-1,2,3,4,5,6,11,11a-octahydro...)
Show SMILES CCN1CC[C@@]2(Cc3[nH]c4ccccc4c3C[C@H]2C1)c1cccc(O)c1
Show InChI InChI=1S/C23H26N2O/c1-2-25-11-10-23(16-6-5-7-18(26)12-16)14-22-20(13-17(23)15-25)19-8-3-4-9-21(19)24-22/h3-9,12,17,24,26H,2,10-11,13-15H2,1H3/t17-,23+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
771n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 using [3H]-U-69,593 as radioligand


J Med Chem 40: 3192-8 (1997)


Article DOI: 10.1021/jm9608218
BindingDB Entry DOI: 10.7270/Q29C6Z3D
More data for this
Ligand-Target Pair