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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Corticotropin releasing factor receptor' and Ligand = 'BDBM50387639'   
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


(Rattus norvegicus (rat))
BDBM50387639
PNG
(CHEMBL2058593)
Show SMILES CC[C@H](C1CC1)n1c2nccc(-c3cc(F)c(OC)cc3Cl)c2nc(C)c1=O |r|
Show InChI InChI=1S/C21H21ClFN3O2/c1-4-17(12-5-6-12)26-20-19(25-11(2)21(26)27)13(7-8-24-20)14-9-16(23)18(28-3)10-15(14)22/h7-10,12,17H,4-6H2,1-3H3/t17-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Antagonist activity at rat CFR1R


Bioorg Med Chem Lett 22: 4986-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.034
BindingDB Entry DOI: 10.7270/Q23X87Q6
More data for this
Ligand-Target Pair