BDBM50043383 CHEMBL3355070

SMILES: CN(C)S(=O)(=O)c1ccc(cc1)-c1cnn2CCN(Cc12)c1ccnc2[nH]ccc12

InChI Key: InChIKey=IRPXBHAXMHTWAE-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 = 50043383   

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))	BDBM50043383 (CHEMBL3355070) Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnn2CCN(Cc12)c1ccnc2[nH]ccc12 Show InChI InChI=1S/C21H22N6O2S/c1-25(2)30(28,29)16-5-3-15(4-6-16)18-13-24-27-12-11-26(14-20(18)27)19-8-10-23-21-17(19)7-9-22-21/h3-10,13H,11-12,14H2,1-2H3,(H,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of ATR (unknown origin) using Avi-tagged protein substrate by alphascreen assay				ACS Med Chem Lett 6: 37-41 (2015) Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50043383 (CHEMBL3355070) Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnn2CCN(Cc12)c1ccnc2[nH]ccc12 Show InChI InChI=1S/C21H22N6O2S/c1-25(2)30(28,29)16-5-3-15(4-6-16)18-13-24-27-12-11-26(14-20(18)27)19-8-10-23-21-17(19)7-9-22-21/h3-10,13H,11-12,14H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin)				ACS Med Chem Lett 6: 37-41 (2015) Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50043383 (CHEMBL3355070) Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1cnn2CCN(Cc12)c1ccnc2[nH]ccc12 Show InChI InChI=1S/C21H22N6O2S/c1-25(2)30(28,29)16-5-3-15(4-6-16)18-13-24-27-12-11-26(14-20(18)27)19-8-10-23-21-17(19)7-9-22-21/h3-10,13H,11-12,14H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	327	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of CHK1 in HeLa S3 cells assessed as inhibition of phosphorylation at ser345 by AlphaScreen SureFire CHK1 (p-Ser345) assay				ACS Med Chem Lett 6: 37-41 (2015) Article DOI: 10.1021/ml500353p BindingDB Entry DOI: 10.7270/Q228097V
					More data for this Ligand-Target Pair