BDBM489325 3-(benzo[d]thiazol-2-yl)-5-(4-(methylsulfonyl)phenyl)pyrazin-2-amine ::US10961232, Compound I-146

SMILES: CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccccc2s1

InChI Key: InChIKey=WOXCVRPHALGLIX-UHFFFAOYSA-N

Data: 1 KI

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 = 489325   

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))	BDBM489325 (3-(benzo[d]thiazol-2-yl)-5-(4-(methylsulfonyl)phen...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccccc2s1 Show InChI InChI=1S/C18H14N4O2S2/c1-26(23,24)12-8-6-11(7-9-12)14-10-20-17(19)16(21-14)18-22-13-4-2-3-5-15(13)25-18/h2-10H,1H3,(H2,19,20)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	55	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))	BDBM489325 (3-(benzo[d]thiazol-2-yl)-5-(4-(methylsulfonyl)phen...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccccc2s1 Show InChI InChI=1S/C18H14N4O2S2/c1-26(23,24)12-8-6-11(7-9-12)14-10-20-17(19)16(21-14)18-22-13-4-2-3-5-15(13)25-18/h2-10H,1H3,(H2,19,20)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	55	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))	BDBM489325 (3-(benzo[d]thiazol-2-yl)-5-(4-(methylsulfonyl)phen...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccccc2s1 Show InChI InChI=1S/C18H14N4O2S2/c1-26(23,24)12-8-6-11(7-9-12)14-10-20-17(19)16(21-14)18-22-13-4-2-3-5-15(13)25-18/h2-10H,1H3,(H2,19,20)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	22	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))	BDBM489325 (3-(benzo[d]thiazol-2-yl)-5-(4-(methylsulfonyl)phen...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccccc2s1 Show InChI InChI=1S/C18H14N4O2S2/c1-26(23,24)12-8-6-11(7-9-12)14-10-20-17(19)16(21-14)18-22-13-4-2-3-5-15(13)25-18/h2-10H,1H3,(H2,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	2.90E+3	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))	BDBM489325 (3-(benzo[d]thiazol-2-yl)-5-(4-(methylsulfonyl)phen...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2ccccc2s1 Show InChI InChI=1S/C18H14N4O2S2/c1-26(23,24)12-8-6-11(7-9-12)14-10-20-17(19)16(21-14)18-22-13-4-2-3-5-15(13)25-18/h2-10H,1H3,(H2,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	n/a	n/a	720	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