BDBM50394173 CHEMBL2158844

SMILES: Clc1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1

InChI Key: InChIKey=DGUMNVQVABBBNL-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 = 50394173   

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))	BDBM50394173 (CHEMBL2158844) Show SMILES Clc1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1 Show InChI InChI=1S/C19H18ClN5O/c20-15-2-1-3-16(13-15)23-19-22-7-5-17(24-19)14-4-6-21-18(12-14)25-8-10-26-11-9-25/h1-7,12-13H,8-11H2,(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	35	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 SMG1 (Homo sapiens (Human))	BDBM50394173 (CHEMBL2158844) Show SMILES Clc1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1 Show InChI InChI=1S/C19H18ClN5O/c20-15-2-1-3-16(13-15)23-19-22-7-5-17(24-19)14-4-6-21-18(12-14)25-8-10-26-11-9-25/h1-7,12-13H,8-11H2,(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	280	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))	BDBM50394173 (CHEMBL2158844) Show SMILES Clc1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1 Show InChI InChI=1S/C19H18ClN5O/c20-15-2-1-3-16(13-15)23-19-22-7-5-17(24-19)14-4-6-21-18(12-14)25-8-10-26-11-9-25/h1-7,12-13H,8-11H2,(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	8.90	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 mTOR (Homo sapiens (Human))	BDBM50394173 (CHEMBL2158844) Show SMILES Clc1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1 Show InChI InChI=1S/C19H18ClN5O/c20-15-2-1-3-16(13-15)23-19-22-7-5-17(24-19)14-4-6-21-18(12-14)25-8-10-26-11-9-25/h1-7,12-13H,8-11H2,(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	>2.00E+4	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