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BDBM50387603 CHEMBL2058598

SMILES: CCC(C1CC1)n1c2nccc(-c3cc(C)c(Cl)cc3OC)c2nc(C)c1=O

InChI Key: InChIKey=DCMDHNOPLWGCES-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50387603   
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


(Rattus norvegicus (rat))
BDBM50387603
PNG
(CHEMBL2058598)
Show SMILES CCC(C1CC1)n1c2nccc(-c3cc(C)c(Cl)cc3OC)c2nc(C)c1=O
Show InChI InChI=1S/C22H24ClN3O2/c1-5-18(14-6-7-14)26-21-20(25-13(3)22(26)27)15(8-9-24-21)16-10-12(2)17(23)11-19(16)28-4/h8-11,14,18H,5-7H2,1-4H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/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