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BDBM94896 3-(4-chlorophenyl)-N-methyl-5-triazolo[1,5-a]quinazolinamine::3-(4-chlorophenyl)-N-methyl-[1,2,3]triazolo[1,5-a]quinazolin-5-amine::3-(4-chlorophenyl)-N-methyl[1,2,3]triazolo[1,5-a]quinazolin-5-amine::3-(4-chlorophenyl)-N-methyltriazolo[1,5-a]quinazolin-5-amine::MLS001199112::SMR000562997::[3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-yl]-methyl-amine::cid_6622721

SMILES: CNc1nc2c(nnn2c2ccccc12)-c1ccc(Cl)cc1

InChI Key: InChIKey=YQBQUMCYQZDEPR-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 94896   
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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94896
PNG
(3-(4-chlorophenyl)-N-methyl-5-triazolo[1,5-a]quina...)
Show SMILES CNc1nc2c(nnn2c2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClN5/c1-18-15-12-4-2-3-5-13(12)22-16(19-15)14(20-21-22)10-6-8-11(17)9-7-10/h2-9H,1H3,(H,18,19)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

n/an/a 1.11E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94896
PNG
(3-(4-chlorophenyl)-N-methyl-5-triazolo[1,5-a]quina...)
Show SMILES CNc1nc2c(nnn2c2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClN5/c1-18-15-12-4-2-3-5-13(12)22-16(19-15)14(20-21-22)10-6-8-11(17)9-7-10/h2-9H,1H3,(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 3.14E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair