new BindingDB logo
myBDB logout

BDBM4868 1-(4-Chloroanilino)-4-(4-pyridylmethyl)-5,6,7,8-tetrahydrophthalazine::CGP79787 Analog 53::N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1-amine

SMILES: Clc1ccc(Nc2nnc(Cc3ccncc3)c3CCCCc23)cc1

InChI Key: InChIKey=AUVPHBMIZZPXIK-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 = 4868   
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 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4868
PNG
(1-(4-Chloroanilino)-4-(4-pyridylmethyl)-5,6,7,8-te...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3CCCCc23)cc1
Show InChI InChI=1S/C20H19ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h5-12H,1-4,13H2,(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>1.00E+4n/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
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4868
PNG
(1-(4-Chloroanilino)-4-(4-pyridylmethyl)-5,6,7,8-te...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3CCCCc23)cc1
Show InChI InChI=1S/C20H19ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h5-12H,1-4,13H2,(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents

Article
PubMed
n/an/a 3.60E+3n/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