BDBM50394183 CHEMBL2158843

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

InChI Key: InChIKey=FYYYMEMZRSXLIX-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 = 50394183   

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))	BDBM50394183 (CHEMBL2158843) Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(NCCCO)c2)c1 Show InChI InChI=1S/C18H20N6O3S/c19-28(26,27)15-4-1-3-14(12-15)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H2,19,26,27)(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	12	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))	BDBM50394183 (CHEMBL2158843) Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(NCCCO)c2)c1 Show InChI InChI=1S/C18H20N6O3S/c19-28(26,27)15-4-1-3-14(12-15)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H2,19,26,27)(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	320	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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50394183 (CHEMBL2158843) Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(NCCCO)c2)c1 Show InChI InChI=1S/C18H20N6O3S/c19-28(26,27)15-4-1-3-14(12-15)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H2,19,26,27)(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	6.70	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
Serine/threonine-protein kinase SMG1 (Homo sapiens (Human))	BDBM50394183 (CHEMBL2158843) Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(NCCCO)c2)c1 Show InChI InChI=1S/C18H20N6O3S/c19-28(26,27)15-4-1-3-14(12-15)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H2,19,26,27)(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	22	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