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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 = 'BDBM50354036'   
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))
BDBM50354036
PNG
(CHEMBL1828890)
Show SMILES CCCN(CCC)c1c(CC)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
Show InChI InChI=1S/C21H28ClN5O/c1-5-12-26(13-6-2)21-16(7-3)20(25-19-10-11-23-27(19)21)24-18-9-8-15(28-4)14-17(18)22/h8-11,14H,5-7,12-13H2,1-4H3,(H,24,25)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]-CRF from human CRF1 receptor expressed in CHO-K1 cells after 2 hrs by gamma counting


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50354036
PNG
(CHEMBL1828890)
Show SMILES CCCN(CCC)c1c(CC)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
Show InChI InChI=1S/C21H28ClN5O/c1-5-12-26(13-6-2)21-16(7-3)20(25-19-10-11-23-27(19)21)24-18-9-8-15(28-4)14-17(18)22/h8-11,14H,5-7,12-13H2,1-4H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.60n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CRF1 receptor expressed in CHO-K1 cells assessed as inhibition of CRF-induced cAMP accumulation after 15 mins by cAMP en...


Bioorg Med Chem 19: 5955-66 (2011)


Article DOI: 10.1016/j.bmc.2011.08.055
BindingDB Entry DOI: 10.7270/Q24X5862
More data for this
Ligand-Target Pair