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BDBM50389537 CHEMBL2063380

SMILES: CCN(CC)c1ccc(C)c2nc(ccc12)-c1c(OC)cc(COC)cc1OC

InChI Key: InChIKey=JFHJTHQBLSHFIU-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50389537   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50389537
PNG
(CHEMBL2063380)
Show SMILES CCN(CC)c1ccc(C)c2nc(ccc12)-c1c(OC)cc(COC)cc1OC
Show InChI InChI=1S/C24H30N2O3/c1-7-26(8-2)20-12-9-16(3)24-18(20)10-11-19(25-24)23-21(28-5)13-17(15-27-4)14-22(23)29-6/h9-14H,7-8,15H2,1-6H3
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PC sid
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Article
PubMed
n/an/a 381n/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-induced intracellular cAMP production preincubated...


Bioorg Med Chem 20: 6559-78 (2012)


Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50389537
PNG
(CHEMBL2063380)
Show SMILES CCN(CC)c1ccc(C)c2nc(ccc12)-c1c(OC)cc(COC)cc1OC
Show InChI InChI=1S/C24H30N2O3/c1-7-26(8-2)20-12-9-16(3)24-18(20)10-11-19(25-24)23-21(28-5)13-17(15-27-4)14-22(23)29-6/h9-14H,7-8,15H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 381n/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 after 3...


Bioorg Med Chem Lett 22: 5372-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50389537
PNG
(CHEMBL2063380)
Show SMILES CCN(CC)c1ccc(C)c2nc(ccc12)-c1c(OC)cc(COC)cc1OC
Show InChI InChI=1S/C24H30N2O3/c1-7-26(8-2)20-12-9-16(3)24-18(20)10-11-19(25-24)23-21(28-5)13-17(15-27-4)14-22(23)29-6/h9-14H,7-8,15H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 184n/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


Bioorg Med Chem Lett 22: 5372-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.047
BindingDB Entry DOI: 10.7270/Q2736S12
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50389537
PNG
(CHEMBL2063380)
Show SMILES CCN(CC)c1ccc(C)c2nc(ccc12)-c1c(OC)cc(COC)cc1OC
Show InChI InChI=1S/C24H30N2O3/c1-7-26(8-2)20-12-9-16(3)24-18(20)10-11-19(25-24)23-21(28-5)13-17(15-27-4)14-22(23)29-6/h9-14H,7-8,15H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 184n/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 counting


Bioorg Med Chem 20: 6559-78 (2012)


Article DOI: 10.1016/j.bmc.2012.09.028
BindingDB Entry DOI: 10.7270/Q2B56KVZ
More data for this
Ligand-Target Pair