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BDBM50074330 3-({4-[(4-Dimethylamino-2-trifluoromethyl-phenyl)-ethyl-amino]-6-methyl-[1,3,5]triazin-2-yl}-propyl-amino)-propionitrile::CHEMBL354178

SMILES: CCCN(CCC#N)c1nc(C)nc(n1)N(CC)c1ccc(cc1C(F)(F)F)N(C)C

InChI Key: InChIKey=YXJBOSZGOIQSSY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50074330   
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))
BDBM50074330
PNG
(3-({4-[(4-Dimethylamino-2-trifluoromethyl-phenyl)-...)
Show SMILES CCCN(CCC#N)c1nc(C)nc(n1)N(CC)c1ccc(cc1C(F)(F)F)N(C)C
Show InChI InChI=1S/C21H28F3N7/c1-6-12-30(13-8-11-25)19-26-15(3)27-20(28-19)31(7-2)18-10-9-16(29(4)5)14-17(18)21(22,23)24/h9-10,14H,6-8,12-13H2,1-5H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant corticotropin releasing factor receptor 1


J Med Chem 42: 805-18 (1999)


Article DOI: 10.1021/jm980222w
BindingDB Entry DOI: 10.7270/Q29S1Q63
More data for this
Ligand-Target Pair