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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 = 'BDBM50296868'   
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


(Homo sapiens (Human))
BDBM50296868
PNG
((1S,13R)-22-(cyclopropylmethyl)-10,22-diazahexacyc...)
Show SMILES Oc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
Show InChI InChI=1S/C26H28N2O/c29-19-8-7-18-12-25-13-21-20-3-1-2-4-23(20)27-24(21)14-26(25,22(18)11-19)9-10-28(16-25)15-17-5-6-17/h1-4,7-8,11,17,27,29H,5-6,9-10,12-16H2/t25-,26-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
704n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
BindingDB Entry DOI: 10.7270/Q2WQ04RF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50296868
PNG
((1S,13R)-22-(cyclopropylmethyl)-10,22-diazahexacyc...)
Show SMILES Oc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3[nH]c5ccccc5c3C4)c2c1 |r|
Show InChI InChI=1S/C26H28N2O/c29-19-8-7-18-12-25-13-21-20-3-1-2-4-23(20)27-24(21)14-26(25,22(18)11-19)9-10-28(16-25)15-17-5-6-17/h1-4,7-8,11,17,27,29H,5-6,9-10,12-16H2/t25-,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 67n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding by scintillation counting


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
BindingDB Entry DOI: 10.7270/Q2WQ04RF
More data for this
Ligand-Target Pair