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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 = 'BDBM50140900'   
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))
BDBM50140900
PNG
(6-(2,4-dichlorophenyl)-19-methyl-(2R,10R)-11-oxa-8...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccc(Cl)cc1Cl)ccc5O |TLB:28:9:12:1.3.2|
Show InChI InChI=1S/C26H22Cl2N2O2/c1-30-7-6-26-18-9-14-8-15(17-4-3-16(27)11-19(17)28)12-29-23(14)25(26)32-24-21(31)5-2-13(22(24)26)10-20(18)30/h2-5,8,11-12,18,20,25,31H,6-7,9-10H2,1H3/t18-,20?,25-,26-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
308n/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 Opioid receptor kappa 1 in [35S]GTP-gamma-S, binding assay in guinea pig c...


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))
BDBM50140900
PNG
(6-(2,4-dichlorophenyl)-19-methyl-(2R,10R)-11-oxa-8...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccc(Cl)cc1Cl)ccc5O |TLB:28:9:12:1.3.2|
Show InChI InChI=1S/C26H22Cl2N2O2/c1-30-7-6-26-18-9-14-8-15(17-4-3-16(27)11-19(17)28)12-29-23(14)25(26)32-24-21(31)5-2-13(22(24)26)10-20(18)30/h2-5,8,11-12,18,20,25,31H,6-7,9-10H2,1H3/t18-,20?,25-,26-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
403n/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