BDBM50535971 CHEMBL4593348

SMILES: CCC(CC)CNc1c(cnc2ccc(cc12)C#N)C(N)=O

InChI Key: InChIKey=DPKWEPQBVKHUQT-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50535971   

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
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50535971 (CHEMBL4593348) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)C#N)C(N)=O Show InChI InChI=1S/C17H20N4O/c1-3-11(4-2)9-21-16-13-7-12(8-18)5-6-15(13)20-10-14(16)17(19)22/h5-7,10-11H,3-4,9H2,1-2H3,(H2,19,22)(H,20,21)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of DNAPK (unknown origin) using p53-based peptide substrate preincubated for 5 min prior to ATP addition				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50535971 (CHEMBL4593348) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)C#N)C(N)=O Show InChI InChI=1S/C17H20N4O/c1-3-11(4-2)9-21-16-13-7-12(8-18)5-6-15(13)20-10-14(16)17(19)22/h5-7,10-11H,3-4,9H2,1-2H3,(H2,19,22)(H,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by electrophysiology assay				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50535971 (CHEMBL4593348) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)C#N)C(N)=O Show InChI InChI=1S/C17H20N4O/c1-3-11(4-2)9-21-16-13-7-12(8-18)5-6-15(13)20-10-14(16)17(19)22/h5-7,10-11H,3-4,9H2,1-2H3,(H2,19,22)(H,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATM phosphorylation at Ser-1981 residue in human HT-29 cells incubated for 1 hr followed by X-ray irradiation by Hoechst staining based...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50535971 (CHEMBL4593348) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)C#N)C(N)=O Show InChI InChI=1S/C17H20N4O/c1-3-11(4-2)9-21-16-13-7-12(8-18)5-6-15(13)20-10-14(16)17(19)22/h5-7,10-11H,3-4,9H2,1-2H3,(H2,19,22)(H,20,21)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HT-29 cells assessed as reduction in Chk1 phosphorylation at Ser-345 residue after 60 mins in presence of 4-nitroquinoline...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50535971 (CHEMBL4593348) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)C#N)C(N)=O Show InChI InChI=1S/C17H20N4O/c1-3-11(4-2)9-21-16-13-7-12(8-18)5-6-15(13)20-10-14(16)17(19)22/h5-7,10-11H,3-4,9H2,1-2H3,(H2,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	247	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kalpha using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent base...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50535971 (CHEMBL4593348) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)C#N)C(N)=O Show InChI InChI=1S/C17H20N4O/c1-3-11(4-2)9-21-16-13-7-12(8-18)5-6-15(13)20-10-14(16)17(19)22/h5-7,10-11H,3-4,9H2,1-2H3,(H2,19,22)(H,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATM (unknown origin) using p53 as substrate incubated for 30 mins followed by substrate addition measured after 2 hrs in presence of AT...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50535971 (CHEMBL4593348) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)C#N)C(N)=O Show InChI InChI=1S/C17H20N4O/c1-3-11(4-2)9-21-16-13-7-12(8-18)5-6-15(13)20-10-14(16)17(19)22/h5-7,10-11H,3-4,9H2,1-2H3,(H2,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kgamma using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent base...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50535971 (CHEMBL4593348) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)C#N)C(N)=O Show InChI InChI=1S/C17H20N4O/c1-3-11(4-2)9-21-16-13-7-12(8-18)5-6-15(13)20-10-14(16)17(19)22/h5-7,10-11H,3-4,9H2,1-2H3,(H2,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG-tagged recombinant mTOR (1362 to 2549 residues) (unknown origin) using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-P...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50535971 (CHEMBL4593348) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)C#N)C(N)=O Show InChI InChI=1S/C17H20N4O/c1-3-11(4-2)9-21-16-13-7-12(8-18)5-6-15(13)20-10-14(16)17(19)22/h5-7,10-11H,3-4,9H2,1-2H3,(H2,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin)				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50535971 (CHEMBL4593348) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)C#N)C(N)=O Show InChI InChI=1S/C17H20N4O/c1-3-11(4-2)9-21-16-13-7-12(8-18)5-6-15(13)20-10-14(16)17(19)22/h5-7,10-11H,3-4,9H2,1-2H3,(H2,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin)				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50535971 (CHEMBL4593348) Show SMILES CCC(CC)CNc1c(cnc2ccc(cc12)C#N)C(N)=O Show InChI InChI=1S/C17H20N4O/c1-3-11(4-2)9-21-16-13-7-12(8-18)5-6-15(13)20-10-14(16)17(19)22/h5-7,10-11H,3-4,9H2,1-2H3,(H2,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta using PIP2/ATP as substrate incubated for 20 mins followed by substrate addition by Kinase Glo reagent based...				J Med Chem 59: 6281-92 (2016) Article DOI: 10.1021/acs.jmedchem.6b00519
					More data for this Ligand-Target Pair