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BDBM50341728 3-amino-6-(3-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide::CHEMBL1766774

SMILES: Nc1ncc(nc1C(=O)Nc1ccccc1)-c1cccc(O)c1

InChI Key: InChIKey=SRBBFIPPPXGQQI-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 = 50341728   
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
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50341728
PNG
(3-amino-6-(3-hydroxyphenyl)-N-phenylpyrazine-2-car...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O2/c18-16-15(17(23)20-12-6-2-1-3-7-12)21-14(10-19-16)11-5-4-8-13(22)9-11/h1-10,22H,(H2,18,19)(H,20,23)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of DNAPK after 2 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50341728
PNG
(3-amino-6-(3-hydroxyphenyl)-N-phenylpyrazine-2-car...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O2/c18-16-15(17(23)20-12-6-2-1-3-7-12)21-14(10-19-16)11-5-4-8-13(22)9-11/h1-10,22H,(H2,18,19)(H,20,23)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>8.00E+3n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341728
PNG
(3-amino-6-(3-hydroxyphenyl)-N-phenylpyrazine-2-car...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1cccc(O)c1
Show InChI InChI=1S/C17H14N4O2/c18-16-15(17(23)20-12-6-2-1-3-7-12)21-14(10-19-16)11-5-4-8-13(22)9-11/h1-10,22H,(H2,18,19)(H,20,23)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair