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BDBM50381694 CHEMBL2023222

SMILES: Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2ccoc2)c1

InChI Key: InChIKey=GBOGGRLNGKRGBK-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 = 50381694   
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))
BDBM50381694
PNG
(CHEMBL2023222)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2ccoc2)c1
Show InChI InChI=1S/C25H20N4O2S/c1-15-3-2-4-19(11-15)29-25(30)28-18-7-5-16(6-8-18)21-14-32-23-20(17-9-10-31-13-17)12-27-24(26)22(21)23/h2-14H,1H3,(H2,26,27)(H2,28,29,30)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 14n/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)

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


(Homo sapiens (human))
BDBM50381694
PNG
(CHEMBL2023222)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2ccoc2)c1
Show InChI InChI=1S/C25H20N4O2S/c1-15-3-2-4-19(11-15)29-25(30)28-18-7-5-16(6-8-18)21-14-32-23-20(17-9-10-31-13-17)12-27-24(26)22(21)23/h2-14H,1H3,(H2,26,27)(H2,28,29,30)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/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)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM50381694
PNG
(CHEMBL2023222)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2ccoc2)c1
Show InChI InChI=1S/C25H20N4O2S/c1-15-3-2-4-19(11-15)29-25(30)28-18-7-5-16(6-8-18)21-14-32-23-20(17-9-10-31-13-17)12-27-24(26)22(21)23/h2-14H,1H3,(H2,26,27)(H2,28,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 100n/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)

More data for this
Ligand-Target Pair