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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Corticotropin-releasing factor receptor 1' and Ligand = 'BDBM50387013'   
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))
BDBM50387013
PNG
(CHEMBL2049188)
Show SMILES CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)c(C)nc12
Show InChI InChI=1S/C24H32N4/c1-7-12-28(13-8-2)21-11-9-10-20-23(21)25-19(6)24(26-20)27-22-17(4)14-16(3)15-18(22)5/h9-11,14-15H,7-8,12-13H2,1-6H3,(H,26,27)
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Article
PubMed
n/an/a 155n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114085
BindingDB Entry DOI: 10.7270/Q2XW4PS2
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50387013
PNG
(CHEMBL2049188)
Show SMILES CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)c(C)nc12
Show InChI InChI=1S/C24H32N4/c1-7-12-28(13-8-2)21-11-9-10-20-23(21)25-19(6)24(26-20)27-22-17(4)14-16(3)15-18(22)5/h9-11,14-15H,7-8,12-13H2,1-6H3,(H,26,27)
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PC sid
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Article
PubMed
n/an/a 155n/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 scintillation proximity assay


Bioorg Med Chem Lett 22: 4756-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.066
BindingDB Entry DOI: 10.7270/Q21837JW
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50387013
PNG
(CHEMBL2049188)
Show SMILES CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)c(C)nc12
Show InChI InChI=1S/C24H32N4/c1-7-12-28(13-8-2)21-11-9-10-20-23(21)25-19(6)24(26-20)27-22-17(4)14-16(3)15-18(22)5/h9-11,14-15H,7-8,12-13H2,1-6H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 563n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114085
BindingDB Entry DOI: 10.7270/Q2XW4PS2
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))
BDBM50387013
PNG
(CHEMBL2049188)
Show SMILES CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)c(C)nc12
Show InChI InChI=1S/C24H32N4/c1-7-12-28(13-8-2)21-11-9-10-20-23(21)25-19(6)24(26-20)27-22-17(4)14-16(3)15-18(22)5/h9-11,14-15H,7-8,12-13H2,1-6H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 563n/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 intracellular cAMP accumulation preincu...


Bioorg Med Chem Lett 22: 4756-61 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.066
BindingDB Entry DOI: 10.7270/Q21837JW
More data for this
Ligand-Target Pair