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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Corticotropin-releasing factor receptor 1' and Ligand = 'BDBM50420904'   
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
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50420904
PNG
(CHEMBL2087550)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C24H28ClN3O/c1-3-21-24(27(14-16-7-8-16)15-17-9-10-17)23-6-4-5-22(28(23)26-21)19-12-11-18(29-2)13-20(19)25/h4-6,11-13,16-17H,3,7-10,14-15H2,1-2H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human CRF1 receptor expressed in HEK293 cells after 2 hrs by liquid scintillation counter


J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50420904
PNG
(CHEMBL2087550)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1ccc(OC)cc1Cl
Show InChI InChI=1S/C24H28ClN3O/c1-3-21-24(27(14-16-7-8-16)15-17-9-10-17)23-6-4-5-22(28(23)26-21)19-12-11-18(29-2)13-20(19)25/h4-6,11-13,16-17H,3,7-10,14-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in HEK293 cells assessed as inhibition of CRF-stimulated cAMP accumulation after 30 mins by fluo...


J Med Chem 55: 5255-69 (2012)


Article DOI: 10.1021/jm300259r
BindingDB Entry DOI: 10.7270/Q29P32XC
More data for this
Ligand-Target Pair