BDBM50394185 CHEMBL2158864

SMILES: CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(Cl)c(c2)S(=O)(=O)NC)n1

InChI Key: InChIKey=OQUASBDHCWBKGD-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 = 50394185   

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 SMG1 (Homo sapiens (Human))	BDBM50394185 (CHEMBL2158864) Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(Cl)c(c2)S(=O)(=O)NC)n1 Show InChI InChI=1S/C24H22ClN7O3S/c1-26-24(33)31-17-5-3-15(4-6-17)21-13-16(9-11-28-21)20-10-12-29-23(32-20)30-18-7-8-19(25)22(14-18)36(34,35)27-2/h3-14,27H,1-2H3,(H2,26,31,33)(H,29,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.0500	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))	BDBM50394185 (CHEMBL2158864) Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(Cl)c(c2)S(=O)(=O)NC)n1 Show InChI InChI=1S/C24H22ClN7O3S/c1-26-24(33)31-17-5-3-15(4-6-17)21-13-16(9-11-28-21)20-10-12-29-23(32-20)30-18-7-8-19(25)22(14-18)36(34,35)27-2/h3-14,27H,1-2H3,(H2,26,31,33)(H,29,30,32)	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	140	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))	BDBM50394185 (CHEMBL2158864) Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(Cl)c(c2)S(=O)(=O)NC)n1 Show InChI InChI=1S/C24H22ClN7O3S/c1-26-24(33)31-17-5-3-15(4-6-17)21-13-16(9-11-28-21)20-10-12-29-23(32-20)30-18-7-8-19(25)22(14-18)36(34,35)27-2/h3-14,27H,1-2H3,(H2,26,31,33)(H,29,30,32)	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	7.70	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 1 (Homo sapiens (Human))	BDBM50394185 (CHEMBL2158864) Show SMILES CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(Cl)c(c2)S(=O)(=O)NC)n1 Show InChI InChI=1S/C24H22ClN7O3S/c1-26-24(33)31-17-5-3-15(4-6-17)21-13-16(9-11-28-21)20-10-12-29-23(32-20)30-18-7-8-19(25)22(14-18)36(34,35)27-2/h3-14,27H,1-2H3,(H2,26,31,33)(H,29,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 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