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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 = 'BDBM50140913'   
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))
BDBM50140913
PNG
(6-(4-chlorophenyl)-19-cyclopropylmethyl-(2R,10R)-1...)
Show SMILES Oc1ccc2CC3[C@@H]4Cc5cc(cnc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1)-c1ccc(Cl)cc1 |THB:3:4:7:22.20.21|
Show InChI InChI=1S/C29H27ClN2O2/c30-21-6-3-17(4-7-21)20-11-19-12-22-23-13-18-5-8-24(33)27-25(18)29(22,28(34-27)26(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11,14,16,22-23,28,33H,1-2,9-10,12-13,15H2/t22-,23?,28-,29-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor kappa 1 by displacement of [3H]U-69593 in guinea pig brain membranes


J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50140913
PNG
(6-(4-chlorophenyl)-19-cyclopropylmethyl-(2R,10R)-1...)
Show SMILES Oc1ccc2CC3[C@@H]4Cc5cc(cnc5[C@@H]5Oc1c2[C@]45CCN3CC1CC1)-c1ccc(Cl)cc1 |THB:3:4:7:22.20.21|
Show InChI InChI=1S/C29H27ClN2O2/c30-21-6-3-17(4-7-21)20-11-19-12-22-23-13-18-5-8-24(33)27-25(18)29(22,28(34-27)26(19)31-14-20)9-10-32(23)15-16-1-2-16/h3-8,11,14,16,22-23,28,33H,1-2,9-10,12-13,15H2/t22-,23?,28-,29-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Apparent binding affinity of compound was determined by antagonism towards kappa opioid receptors in [35S]GTP-gamma-S, binding assay in guinea pig ca...


J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair