new BindingDB logo
myBDB logout

BDBM50074524 (1-Methyl-butyl)-[5-methyl-3-(2,4,6-trimethyl-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]-amine::CHEMBL169280

SMILES: CCCC(C)Nc1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C

InChI Key: InChIKey=HZBNKSCVHXIYTF-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50074524   
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))
BDBM50074524
PNG
((1-Methyl-butyl)-[5-methyl-3-(2,4,6-trimethyl-phen...)
Show SMILES CCCC(C)Nc1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C |(7.49,-6.03,;8.82,-5.26,;8.82,-3.72,;10.15,-2.95,;10.15,-1.4,;11.49,-3.72,;11.49,-5.26,;10.15,-6.03,;10.15,-7.57,;8.8,-8.34,;11.49,-8.34,;12.82,-7.57,;14.28,-8.03,;15.17,-6.79,;14.28,-5.55,;12.82,-6.03,;14.61,-9.54,;16.06,-10.02,;17.2,-8.98,;16.39,-11.51,;15.26,-12.55,;15.59,-14.05,;13.79,-12.07,;13.46,-10.58,;11.99,-10.11,)|
Show InChI InChI=1S/C19H26N6/c1-7-8-14(5)20-18-16-19(22-15(6)21-18)25(24-23-16)17-12(3)9-11(2)10-13(17)4/h9-10,14H,7-8H2,1-6H3,(H,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair