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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 = 'BDBM50420906'   
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))
BDBM50420906
PNG
(CHEMBL2087552)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1ccc(C)cc1OC
Show InChI InChI=1S/C25H31N3O/c1-4-21-25(27(15-18-9-10-18)16-19-11-12-19)23-7-5-6-22(28(23)26-21)20-13-8-17(2)14-24(20)29-3/h5-8,13-14,18-19H,4,9-12,15-16H2,1-3H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/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))
BDBM50420906
PNG
(CHEMBL2087552)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CC1)-c1ccc(C)cc1OC
Show InChI InChI=1S/C25H31N3O/c1-4-21-25(27(15-18-9-10-18)16-19-11-12-19)23-7-5-6-22(28(23)26-21)20-13-8-17(2)14-24(20)29-3/h5-8,13-14,18-19H,4,9-12,15-16H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 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