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BDBM4879 1-(3-Trifluormethyl-4-chloroanilino)-4-(4-pyridylmethyl)phthalazine::CGP79787 Analog 64::CHEMBL77555::N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)phthalazin-1-amine

SMILES: FC(F)(F)c1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl

InChI Key: InChIKey=ONVYCEKKOOSVPA-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 4879   
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


(Homo sapiens (human))
BDBM4879
PNG
(1-(3-Trifluormethyl-4-chloroanilino)-4-(4-pyridylm...)
Show SMILES FC(F)(F)c1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C21H14ClF3N4/c22-18-6-5-14(12-17(18)21(23,24)25)27-20-16-4-2-1-3-15(16)19(28-29-20)11-13-7-9-26-10-8-13/h1-10,12H,11H2,(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM4879
PNG
(1-(3-Trifluormethyl-4-chloroanilino)-4-(4-pyridylm...)
Show SMILES FC(F)(F)c1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C21H14ClF3N4/c22-18-6-5-14(12-17(18)21(23,24)25)27-20-16-4-2-1-3-15(16)19(28-29-20)11-13-7-9-26-10-8-13/h1-10,12H,11H2,(H,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM4879
PNG
(1-(3-Trifluormethyl-4-chloroanilino)-4-(4-pyridylm...)
Show SMILES FC(F)(F)c1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C21H14ClF3N4/c22-18-6-5-14(12-17(18)21(23,24)25)27-20-16-4-2-1-3-15(16)19(28-29-20)11-13-7-9-26-10-8-13/h1-10,12H,11H2,(H,27,29)
PDB
MMDB

NCI pathway
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KEGG

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PubMed
n/an/a 300n/an/an/an/an/an/a



Shanghai Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 17: 2126-33 (2007)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Kit (Kit)


(Homo sapiens (Human))
BDBM4879
PNG
(1-(3-Trifluormethyl-4-chloroanilino)-4-(4-pyridylm...)
Show SMILES FC(F)(F)c1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C21H14ClF3N4/c22-18-6-5-14(12-17(18)21(23,24)25)27-20-16-4-2-1-3-15(16)19(28-29-20)11-13-7-9-26-10-8-13/h1-10,12H,11H2,(H,27,29)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta)


(Homo sapiens (human))
BDBM4879
PNG
(1-(3-Trifluormethyl-4-chloroanilino)-4-(4-pyridylm...)
Show SMILES FC(F)(F)c1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C21H14ClF3N4/c22-18-6-5-14(12-17(18)21(23,24)25)27-20-16-4-2-1-3-15(16)19(28-29-20)11-13-7-9-26-10-8-13/h1-10,12H,11H2,(H,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The autophosphorylation assay was performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified ov...


J Med Chem 43: 2310-23 (2000)

More data for this
Ligand-Target Pair