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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 = 'BDBM50420916'   
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))
BDBM50420916
PNG
(CHEMBL2087562)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(C)cc1OC |(-4.48,1.41,;-3.7,.09,;-2.16,.1,;-1.25,-1.14,;.21,-.65,;1.55,-1.41,;2.88,-.63,;2.87,.91,;1.53,1.67,;.2,.89,;-1.27,1.35,;-1.75,2.81,;-.73,3.96,;.79,3.73,;2.22,4.3,;2,2.77,;-3.26,3.12,;-3.67,4.6,;-5.16,4.99,;-5.57,6.48,;-4.49,7.57,;-3,7.19,;-2.59,5.7,;1.57,-2.95,;2.91,-3.71,;4.23,-2.93,;5.57,-3.69,;2.92,-5.25,;1.59,-6.03,;1.6,-7.57,;.25,-5.27,;.24,-3.73,;-1.1,-2.97,;-2.43,-3.75,)|
Show InChI InChI=1S/C28H37N3O3/c1-5-22-28(30(17-20-9-10-20)18-21-11-13-34-14-12-21)24-8-6-7-23(31(24)29-22)27-25(32-3)15-19(2)16-26(27)33-4/h6-8,15-16,20-21H,5,9-14,17-18H2,1-4H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 20n/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
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50420916
PNG
(CHEMBL2087562)
Show SMILES CCc1nn2c(cccc2c1N(CC1CC1)CC1CCOCC1)-c1c(OC)cc(C)cc1OC |(-4.48,1.41,;-3.7,.09,;-2.16,.1,;-1.25,-1.14,;.21,-.65,;1.55,-1.41,;2.88,-.63,;2.87,.91,;1.53,1.67,;.2,.89,;-1.27,1.35,;-1.75,2.81,;-.73,3.96,;.79,3.73,;2.22,4.3,;2,2.77,;-3.26,3.12,;-3.67,4.6,;-5.16,4.99,;-5.57,6.48,;-4.49,7.57,;-3,7.19,;-2.59,5.7,;1.57,-2.95,;2.91,-3.71,;4.23,-2.93,;5.57,-3.69,;2.92,-5.25,;1.59,-6.03,;1.6,-7.57,;.25,-5.27,;.24,-3.73,;-1.1,-2.97,;-2.43,-3.75,)|
Show InChI InChI=1S/C28H37N3O3/c1-5-22-28(30(17-20-9-10-20)18-21-11-13-34-14-12-21)24-8-6-7-23(31(24)29-22)27-25(32-3)15-19(2)16-26(27)33-4/h6-8,15-16,20-21H,5,9-14,17-18H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/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