BDBM50394178 CHEMBL2158845

SMILES: NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1

InChI Key: InChIKey=SUIVLXMKJVEBQK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50394178   

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
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50394178 (CHEMBL2158845) Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1 Show InChI InChI=1S/C19H20N6O3S/c20-29(26,27)16-3-1-2-15(13-16)23-19-22-7-5-17(24-19)14-4-6-21-18(12-14)25-8-10-28-11-9-25/h1-7,12-13H,8-11H2,(H2,20,26,27)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 22: 6636-41 (2012) Article DOI: 10.1016/j.bmcl.2012.08.107 BindingDB Entry DOI: 10.7270/Q2TB181N
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50394178 (CHEMBL2158845) Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1 Show InChI InChI=1S/C19H20N6O3S/c20-29(26,27)16-3-1-2-15(13-16)23-19-22-7-5-17(24-19)14-4-6-21-18(12-14)25-8-10-28-11-9-25/h1-7,12-13H,8-11H2,(H2,20,26,27)(H,22,23,24)	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	610	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 22: 6636-41 (2012) Article DOI: 10.1016/j.bmcl.2012.08.107 BindingDB Entry DOI: 10.7270/Q2TB181N
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase SMG1 (Homo sapiens (Human))	BDBM50394178 (CHEMBL2158845) Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1 Show InChI InChI=1S/C19H20N6O3S/c20-29(26,27)16-3-1-2-15(13-16)23-19-22-7-5-17(24-19)14-4-6-21-18(12-14)25-8-10-28-11-9-25/h1-7,12-13H,8-11H2,(H2,20,26,27)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged p53 as substrate after 1 hr by DELFIA assay				Bioorg Med Chem Lett 22: 6636-41 (2012) Article DOI: 10.1016/j.bmcl.2012.08.107 BindingDB Entry DOI: 10.7270/Q2TB181N
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50394178 (CHEMBL2158845) Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1 Show InChI InChI=1S/C19H20N6O3S/c20-29(26,27)16-3-1-2-15(13-16)23-19-22-7-5-17(24-19)14-4-6-21-18(12-14)25-8-10-28-11-9-25/h1-7,12-13H,8-11H2,(H2,20,26,27)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 22: 6636-41 (2012) Article DOI: 10.1016/j.bmcl.2012.08.107 BindingDB Entry DOI: 10.7270/Q2TB181N
					More data for this Ligand-Target Pair