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BDBM84771 (25) 1H-1,2,4-triazol-3-yl-anilines 3-Me-4-F3C(C6H3) 4-Pyridine::(25) 1H-1,2,4-triazol-3-yl-anilines 3-Me-4F3C(C6H3) 4-Pyridine

SMILES: Cc1cc(ccc1C(F)(F)F)-n1cnc(n1)-c1ccccc1Nc1ccncc1

InChI Key: InChIKey=UDXPPWQSJCHUEV-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 = 84771   
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
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM84771
PNG
((25) 1H-1,2,4-triazol-3-yl-anilines 3-Me-4-F3C(C6H...)
Show SMILES Cc1cc(ccc1C(F)(F)F)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C21H16F3N5/c1-14-12-16(6-7-18(14)21(22,23)24)29-13-26-20(28-29)17-4-2-3-5-19(17)27-15-8-10-25-11-9-15/h2-13H,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 920n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM84771
PNG
((25) 1H-1,2,4-triazol-3-yl-anilines 3-Me-4-F3C(C6H...)
Show SMILES Cc1cc(ccc1C(F)(F)F)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C21H16F3N5/c1-14-12-16(6-7-18(14)21(22,23)24)29-13-26-20(28-29)17-4-2-3-5-19(17)27-15-8-10-25-11-9-15/h2-13H,1H3,(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 670n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair