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BDBM50443495 CHEMBL3087775

SMILES: COc1ccc(cc1)-c1[nH]c2ncc(Cl)cc2c1-c1cccc(CNC(C)=O)c1

InChI Key: InChIKey=BMJSEYJIDYDZSX-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 = 50443495   
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50443495
PNG
(CHEMBL3087775)
Show SMILES COc1ccc(cc1)-c1[nH]c2ncc(Cl)cc2c1-c1cccc(CNC(C)=O)c1
Show InChI InChI=1S/C23H20ClN3O2/c1-14(28)25-12-15-4-3-5-17(10-15)21-20-11-18(24)13-26-23(20)27-22(21)16-6-8-19(29-2)9-7-16/h3-11,13H,12H2,1-2H3,(H,25,28)(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.09E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full-length aurora-B (unknown origin) using 5FAMLRRASLG-CONH2 as substrate after 60 mins


J Med Chem 56: 9122-35 (2013)


Article DOI: 10.1021/jm401115g
BindingDB Entry DOI: 10.7270/Q2R78GPN
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50443495
PNG
(CHEMBL3087775)
Show SMILES COc1ccc(cc1)-c1[nH]c2ncc(Cl)cc2c1-c1cccc(CNC(C)=O)c1
Show InChI InChI=1S/C23H20ClN3O2/c1-14(28)25-12-15-4-3-5-17(10-15)21-20-11-18(24)13-26-23(20)27-22(21)16-6-8-19(29-2)9-7-16/h3-11,13H,12H2,1-2H3,(H,25,28)(H,26,27)
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 743n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal HIS-tagged aurora-A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins


J Med Chem 56: 9122-35 (2013)


Article DOI: 10.1021/jm401115g
BindingDB Entry DOI: 10.7270/Q2R78GPN
More data for this
Ligand-Target Pair