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SMILES: Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cc[nH]n2)c1

InChI Key: InChIKey=PQYSCCATMNNHGY-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50381697   
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


(Homo sapiens (Human))
BDBM50381697
PNG
(CHEMBL2023224)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cc[nH]n2)c1
Show InChI InChI=1S/C24H20N6OS/c1-14-3-2-4-17(11-14)29-24(31)28-16-7-5-15(6-8-16)19-13-32-22-18(20-9-10-27-30-20)12-26-23(25)21(19)22/h2-13H,1H3,(H2,25,26)(H,27,30)(H2,28,29,31)
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PubMed
n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50381697
PNG
(CHEMBL2023224)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cc[nH]n2)c1
Show InChI InChI=1S/C24H20N6OS/c1-14-3-2-4-17(11-14)29-24(31)28-16-7-5-15(6-8-16)19-13-32-22-18(20-9-10-27-30-20)12-26-23(25)21(19)22/h2-13H,1H3,(H2,25,26)(H,27,30)(H2,28,29,31)
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PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50381697
PNG
(CHEMBL2023224)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cc[nH]n2)c1
Show InChI InChI=1S/C24H20N6OS/c1-14-3-2-4-17(11-14)29-24(31)28-16-7-5-15(6-8-16)19-13-32-22-18(20-9-10-27-30-20)12-26-23(25)21(19)22/h2-13H,1H3,(H2,25,26)(H,27,30)(H2,28,29,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair