BDBM50341727 3-amino-6-(3-(methylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide::CHEMBL1766773::US10479784, Compound I-3::US10961232, Compound I-3

SMILES: CS(=O)(=O)c1cccc(c1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1

InChI Key: InChIKey=ISWAJEMQAQNLMY-UHFFFAOYSA-N

Data: 2 KI  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 5 hits for monomerid = 50341727   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50341727 (3-amino-6-(3-(methylsulfonyl)phenyl)-N-phenylpyraz...) Show SMILES CS(=O)(=O)c1cccc(c1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-5-6-12(10-14)15-11-20-17(19)16(22-15)18(23)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20)(H,21,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10961232 (2021)
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50341727 (3-amino-6-(3-(methylsulfonyl)phenyl)-N-phenylpyraz...) Show SMILES CS(=O)(=O)c1cccc(c1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-5-6-12(10-14)15-11-20-17(19)16(22-15)18(23)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20)(H,21,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	5.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VERTEX PHARMACEUTICALS INCORPORATED US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50341727 (3-amino-6-(3-(methylsulfonyl)phenyl)-N-phenylpyraz...) Show SMILES CS(=O)(=O)c1cccc(c1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-5-6-12(10-14)15-11-20-17(19)16(22-15)18(23)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20)(H,21,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/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
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50341727 (3-amino-6-(3-(methylsulfonyl)phenyl)-N-phenylpyraz...) Show SMILES CS(=O)(=O)c1cccc(c1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-5-6-12(10-14)15-11-20-17(19)16(22-15)18(23)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20)(H,21,23)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50341727 (3-amino-6-(3-(methylsulfonyl)phenyl)-N-phenylpyraz...) Show SMILES CS(=O)(=O)c1cccc(c1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-5-6-12(10-14)15-11-20-17(19)16(22-15)18(23)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20)(H,21,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/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