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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 = 'BDBM50420905'   
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))
BDBM50420905
PNG
(CHEMBL2087551)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1ccc(OC)cc1C
Show InChI InChI=1S/C25H31N3O/c1-4-22-25(27(15-18-8-9-18)16-19-10-11-19)24-7-5-6-23(28(24)26-22)21-13-12-20(29-3)14-17(21)2/h5-7,12-14,18-19H,4,8-11,15-16H2,1-3H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/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))
BDBM50420905
PNG
(CHEMBL2087551)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1ccc(OC)cc1C
Show InChI InChI=1S/C25H31N3O/c1-4-22-25(27(15-18-8-9-18)16-19-10-11-19)24-7-5-6-23(28(24)26-22)21-13-12-20(29-3)14-17(21)2/h5-7,12-14,18-19H,4,8-11,15-16H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/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