BDBM50394182 CHEMBL2158854

SMILES: NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2C3CCC2COC3)c1

InChI Key: InChIKey=GCIMHCJOZUYMTH-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 = 50394182   

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))	BDBM50394182 (CHEMBL2158854) Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2C3CCC2COC3)c1 Show InChI InChI=1S/C21H22N6O3S/c22-31(28,29)18-3-1-2-15(11-18)25-21-24-9-7-19(26-21)14-6-8-23-20(10-14)27-16-4-5-17(27)13-30-12-16/h1-3,6-11,16-17H,4-5,12-13H2,(H2,22,28,29)(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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))	BDBM50394182 (CHEMBL2158854) Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2C3CCC2COC3)c1 Show InChI InChI=1S/C21H22N6O3S/c22-31(28,29)18-3-1-2-15(11-18)25-21-24-9-7-19(26-21)14-6-8-23-20(10-14)27-16-4-5-17(27)13-30-12-16/h1-3,6-11,16-17H,4-5,12-13H2,(H2,22,28,29)(H,24,25,26)	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	3.20E+3	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))	BDBM50394182 (CHEMBL2158854) Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2C3CCC2COC3)c1 Show InChI InChI=1S/C21H22N6O3S/c22-31(28,29)18-3-1-2-15(11-18)25-21-24-9-7-19(26-21)14-6-8-23-20(10-14)27-16-4-5-17(27)13-30-12-16/h1-3,6-11,16-17H,4-5,12-13H2,(H2,22,28,29)(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	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))	BDBM50394182 (CHEMBL2158854) Show SMILES NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2C3CCC2COC3)c1 Show InChI InChI=1S/C21H22N6O3S/c22-31(28,29)18-3-1-2-15(11-18)25-21-24-9-7-19(26-21)14-6-8-23-20(10-14)27-16-4-5-17(27)13-30-12-16/h1-3,6-11,16-17H,4-5,12-13H2,(H2,22,28,29)(H,24,25,26)	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	31	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