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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 = 'BDBM50116622'   
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))
BDBM50116622
PNG
(CHEMBL117457 | N-[5-(3-Hydroxy-phenyl)-4-methyl-2-...)
Show SMILES CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCN1CCCCC1 |THB:0:1:17:13.14.15,4:3:17:13.14.15|
Show InChI InChI=1S/C31H43N3O2/c1-24-23-34(18-13-25-9-4-2-5-10-25)28-20-27(32-30(36)14-17-33-15-6-3-7-16-33)21-31(24,22-28)26-11-8-12-29(35)19-26/h2,4-5,8-12,19,24,27-28,35H,3,6-7,13-18,20-23H2,1H3,(H,32,36)/t24?,27-,28?,31?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain


J Med Chem 45: 3524-30 (2002)


BindingDB Entry DOI: 10.7270/Q2959J8R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50116622
PNG
(CHEMBL117457 | N-[5-(3-Hydroxy-phenyl)-4-methyl-2-...)
Show SMILES CC1CN(CCc2ccccc2)C2C[C@@H](CC1(C2)c1cccc(O)c1)NC(=O)CCN1CCCCC1 |THB:0:1:17:13.14.15,4:3:17:13.14.15|
Show InChI InChI=1S/C31H43N3O2/c1-24-23-34(18-13-25-9-4-2-5-10-25)28-20-27(32-30(36)14-17-33-15-6-3-7-16-33)21-31(24,22-28)26-11-8-12-29(35)19-26/h2,4-5,8-12,19,24,27-28,35H,3,6-7,13-18,20-23H2,1H3,(H,32,36)/t24?,27-,28?,31?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
36n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain


J Med Chem 45: 3524-30 (2002)


BindingDB Entry DOI: 10.7270/Q2959J8R
More data for this
Ligand-Target Pair