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SMILES: CC(=O)Nc1ccc2[nH]ncc2c1

InChI Key: InChIKey=XGVHKKOLBJMLLQ-UHFFFAOYSA-N

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 = 50246684   
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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50246684
PNG
(CHEMBL503641 | N-(1H-indazol-5-yl)acetamide)
Show SMILES CC(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C9H9N3O/c1-6(13)11-8-2-3-9-7(4-8)5-10-12-9/h2-5H,1H3,(H,10,12)(H,11,13)
PDB
MMDB

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MCE
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Article
PubMed
n/an/a 1.07E+5n/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Inhibition of cyclooxygenase 2 in human whole blood assessed as prostaglandin H2 level


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
BindingDB Entry DOI: 10.7270/Q2ST7PPX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50246684
PNG
(CHEMBL503641 | N-(1H-indazol-5-yl)acetamide)
Show SMILES CC(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C9H9N3O/c1-6(13)11-8-2-3-9-7(4-8)5-10-12-9/h2-5H,1H3,(H,10,12)(H,11,13)
PDB
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UniChem

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Article
PubMed
n/an/a 6.50E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr by FRET-based enzyme-coupled assay


J Med Chem 55: 2474-8 (2012)


Article DOI: 10.1021/jm201289r
BindingDB Entry DOI: 10.7270/Q2MG7QH3
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50246684
PNG
(CHEMBL503641 | N-(1H-indazol-5-yl)acetamide)
Show SMILES CC(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C9H9N3O/c1-6(13)11-8-2-3-9-7(4-8)5-10-12-9/h2-5H,1H3,(H,10,12)(H,11,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay


J Med Chem 55: 2474-8 (2012)


Article DOI: 10.1021/jm201289r
BindingDB Entry DOI: 10.7270/Q2MG7QH3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50246684
PNG
(CHEMBL503641 | N-(1H-indazol-5-yl)acetamide)
Show SMILES CC(=O)Nc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C9H9N3O/c1-6(13)11-8-2-3-9-7(4-8)5-10-12-9/h2-5H,1H3,(H,10,12)(H,11,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.07E+5n/an/an/an/an/an/a



Martin-Luther-Universitaet

Curated by ChEMBL


Assay Description
Inhibition of cyclooxygenase 2 in human whole blood assessed as prostaglandin H2 level


J Med Chem 51: 7800-5 (2008)


Article DOI: 10.1021/jm800807k
BindingDB Entry DOI: 10.7270/Q2ST7PPX
More data for this
Ligand-Target Pair