BDBM50535968 CHEMBL4552140

SMILES: C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccn(C)n1

InChI Key: InChIKey=KCBCGZCZHKEUPT-CYBMUJFWSA-N

Data: 3 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 3 hits for monomerid = 50535968   

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-protein kinase ATM (Homo sapiens (Human))	BDBM50535968 (CHEMBL4552140) Show SMILES C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccn(C)n1 |r| Show InChI InChI=1S/C21H20N6O/c1-13(18-7-9-27(2)26-18)25-20-16-10-14(15-4-3-8-23-11-15)5-6-19(16)24-12-17(20)21(22)28/h3-13H,1-2H3,(H2,22,28)(H,24,25)/t13-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+3	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))	BDBM50535968 (CHEMBL4552140) Show SMILES C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccn(C)n1 |r| Show InChI InChI=1S/C21H20N6O/c1-13(18-7-9-27(2)26-18)25-20-16-10-14(15-4-3-8-23-11-15)5-6-19(16)24-12-17(20)21(22)28/h3-13H,1-2H3,(H2,22,28)(H,24,25)/t13-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.80E+4	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50535968 (CHEMBL4552140) Show SMILES C[C@@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccn(C)n1 |r| Show InChI InChI=1S/C21H20N6O/c1-13(18-7-9-27(2)26-18)25-20-16-10-14(15-4-3-8-23-11-15)5-6-19(16)24-12-17(20)21(22)28/h3-13H,1-2H3,(H2,22,28)(H,24,25)/t13-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+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