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BDBM4865 4-(4-Chloroanilino)-1-(4-pyridylmethyl)pyrido[3,4-d]-pyridazine::CGP79787 Analog 48::CHEMBL433321::N-(4-chlorophenyl)-1-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-4-amine

SMILES: Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccncc23)cc1

InChI Key: InChIKey=SPSLKQWWHDBYPX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 4865   
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))
BDBM4865
PNG
(4-(4-Chloroanilino)-1-(4-pyridylmethyl)pyrido[3,4-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccncc23)cc1
Show InChI InChI=1S/C19H14ClN5/c20-14-1-3-15(4-2-14)23-19-17-12-22-10-7-16(17)18(24-25-19)11-13-5-8-21-9-6-13/h1-10,12H,11H2,(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 470n/an/an/an/a7.522



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)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4865
PNG
(4-(4-Chloroanilino)-1-(4-pyridylmethyl)pyrido[3,4-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccncc23)cc1
Show InChI InChI=1S/C19H14ClN5/c20-14-1-3-15(4-2-14)23-19-17-12-22-10-7-16(17)18(24-25-19)11-13-5-8-21-9-6-13/h1-10,12H,11H2,(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/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)


Article DOI: 10.1016/j.bmcl.2007.01.089
BindingDB Entry DOI: 10.7270/Q2S1839D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4865
PNG
(4-(4-Chloroanilino)-1-(4-pyridylmethyl)pyrido[3,4-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccncc23)cc1
Show InChI InChI=1S/C19H14ClN5/c20-14-1-3-15(4-2-14)23-19-17-12-22-10-7-16(17)18(24-25-19)11-13-5-8-21-9-6-13/h1-10,12H,11H2,(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+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)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair