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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 = 'BDBM50065851'   
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))
BDBM50065851
PNG
(22-cyclopropylmethyl-6-phenoxy-14-oxa-11,22-diazah...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cccc(Oc4ccccc4)c2c1C[C@@]35O
Show InChI InChI=1S/C32H30N2O4/c35-23-12-11-19-15-25-32(36)16-21-26-22(7-4-8-24(26)37-20-5-2-1-3-6-20)33-28(21)30-31(32,27(19)29(23)38-30)13-14-34(25)17-18-9-10-18/h1-8,11-12,18,25,30,33,35-36H,9-10,13-17H2/t25-,30?,31+,32-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
353n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OXY from Opioid receptor kappa 2b of guinea pig brain membranes (pretreated with BIT(mu) and FIT(delta) and in the presence of ...


J Med Chem 41: 2872-81 (1998)


Article DOI: 10.1021/jm980083i
BindingDB Entry DOI: 10.7270/Q24F1RFN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50065851
PNG
(22-cyclopropylmethyl-6-phenoxy-14-oxa-11,22-diazah...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2cccc(Oc4ccccc4)c2c1C[C@@]35O
Show InChI InChI=1S/C32H30N2O4/c35-23-12-11-19-15-25-32(36)16-21-26-22(7-4-8-24(26)37-20-5-2-1-3-6-20)33-28(21)30-31(32,27(19)29(23)38-30)13-14-34(25)17-18-9-10-18/h1-8,11-12,18,25,30,33,35-36H,9-10,13-17H2/t25-,30?,31+,32-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.31E+3n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain membranes (pretreated with BIT and FIT to block mu and delta sites)


J Med Chem 41: 2872-81 (1998)


Article DOI: 10.1021/jm980083i
BindingDB Entry DOI: 10.7270/Q24F1RFN
More data for this
Ligand-Target Pair