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BDBM50466805 CHEMBL4282530

SMILES: COc1cc2c(Nc3ccc(cc3)C(=O)Nc3ccccc3)ncnc2cc1O

InChI Key: InChIKey=YQTIZDYSQKQTBQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50466805   
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))
BDBM50466805
PNG
(CHEMBL4282530)
Show SMILES COc1cc2c(Nc3ccc(cc3)C(=O)Nc3ccccc3)ncnc2cc1O
Show InChI InChI=1S/C22H18N4O3/c1-29-20-11-17-18(12-19(20)27)23-13-24-21(17)25-16-9-7-14(8-10-16)22(28)26-15-5-3-2-4-6-15/h2-13,27H,1H3,(H,26,28)(H,23,24,25)
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PC sid
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n/an/a 41n/an/an/an/an/an/a



Nirma University

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora B (unknown origin)


Eur J Med Chem 140: 1-19 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50466805
PNG
(CHEMBL4282530)
Show SMILES COc1cc2c(Nc3ccc(cc3)C(=O)Nc3ccccc3)ncnc2cc1O
Show InChI InChI=1S/C22H18N4O3/c1-29-20-11-17-18(12-19(20)27)23-13-24-21(17)25-16-9-7-14(8-10-16)22(28)26-15-5-3-2-4-6-15/h2-13,27H,1H3,(H,26,28)(H,23,24,25)
PDB
MMDB

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PC sid
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n/an/a 60n/an/an/an/an/an/a



Arromax Pharmatech Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A in human MCF7 cells


Eur J Med Chem 170: 55-72 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.004
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50466805
PNG
(CHEMBL4282530)
Show SMILES COc1cc2c(Nc3ccc(cc3)C(=O)Nc3ccccc3)ncnc2cc1O
Show InChI InChI=1S/C22H18N4O3/c1-29-20-11-17-18(12-19(20)27)23-13-24-21(17)25-16-9-7-14(8-10-16)22(28)26-15-5-3-2-4-6-15/h2-13,27H,1H3,(H,26,28)(H,23,24,25)
PDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Arromax Pharmatech Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B in human MCF7 cells


Eur J Med Chem 170: 55-72 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.004
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50466805
PNG
(CHEMBL4282530)
Show SMILES COc1cc2c(Nc3ccc(cc3)C(=O)Nc3ccccc3)ncnc2cc1O
Show InChI InChI=1S/C22H18N4O3/c1-29-20-11-17-18(12-19(20)27)23-13-24-21(17)25-16-9-7-14(8-10-16)22(28)26-15-5-3-2-4-6-15/h2-13,27H,1H3,(H,26,28)(H,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Nirma University

Curated by ChEMBL


Assay Description
Inhibition of recombinant aurora 2 (unknown origin) expressed in Sf21 insect cells incubated for 60 mins using [biotin LRRWSLGLRRWSLGLRRWSLGLRRWSLG s...


Eur J Med Chem 140: 1-19 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.045
BindingDB Entry DOI: 10.7270/Q2WD4385
More data for this
Ligand-Target Pair