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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 = 'BDBM50420926'   
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))
BDBM50420926
PNG
(CHEMBL2087573)
Show SMILES COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(OC)nn12 |(2.88,-8.75,;2.88,-7.21,;1.54,-6.44,;1.54,-4.9,;2.87,-4.13,;2.87,-2.59,;4.2,-1.82,;5.54,-2.59,;1.54,-1.82,;.2,-2.59,;-1.13,-1.82,;-2.46,-2.59,;.21,-4.13,;1.53,-.28,;2.87,.49,;2.87,2.03,;1.53,2.8,;.2,2.03,;-1.27,2.5,;-1.74,3.97,;-.71,5.11,;.81,4.87,;2.24,5.43,;2,3.91,;-3.25,4.29,;-3.65,5.77,;-5.14,6.17,;-5.54,7.66,;-4.45,8.75,;-2.96,8.35,;-2.56,6.86,;-2.17,1.26,;-3.71,1.26,;-4.48,2.59,;-1.26,.01,;.2,.49,)|
Show InChI InChI=1S/C28H37N3O5/c1-32-18-21-14-24(33-2)26(25(15-21)34-3)22-6-5-7-23-27(28(35-4)29-31(22)23)30(16-19-8-9-19)17-20-10-12-36-13-11-20/h5-7,14-15,19-20H,8-13,16-18H2,1-4H3
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 51n/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))
BDBM50420926
PNG
(CHEMBL2087573)
Show SMILES COCc1cc(OC)c(c(OC)c1)-c1cccc2c(N(CC3CC3)CC3CCOCC3)c(OC)nn12 |(2.88,-8.75,;2.88,-7.21,;1.54,-6.44,;1.54,-4.9,;2.87,-4.13,;2.87,-2.59,;4.2,-1.82,;5.54,-2.59,;1.54,-1.82,;.2,-2.59,;-1.13,-1.82,;-2.46,-2.59,;.21,-4.13,;1.53,-.28,;2.87,.49,;2.87,2.03,;1.53,2.8,;.2,2.03,;-1.27,2.5,;-1.74,3.97,;-.71,5.11,;.81,4.87,;2.24,5.43,;2,3.91,;-3.25,4.29,;-3.65,5.77,;-5.14,6.17,;-5.54,7.66,;-4.45,8.75,;-2.96,8.35,;-2.56,6.86,;-2.17,1.26,;-3.71,1.26,;-4.48,2.59,;-1.26,.01,;.2,.49,)|
Show InChI InChI=1S/C28H37N3O5/c1-32-18-21-14-24(33-2)26(25(15-21)34-3)22-6-5-7-23-27(28(35-4)29-31(22)23)30(16-19-8-9-19)17-20-10-12-36-13-11-20/h5-7,14-15,19-20H,8-13,16-18H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/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