BDBM50459008 CHEMBL4217379

SMILES: C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(NCCN(C)C)nc1)C(N)=O)C1CCOCC1

InChI Key: InChIKey=KICFVUSPTNQZHL-INIZCTEOSA-N

Data: 2 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 2 hits for monomerid = 50459008   

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))	BDBM50459008 (CHEMBL4217379) Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(NCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r| Show InChI InChI=1S/C25H33N7O2/c1-16(17-8-12-34-13-9-17)29-23-20-14-18(4-6-21(20)30-31-24(23)25(26)33)19-5-7-22(28-15-19)27-10-11-32(2)3/h4-7,14-17H,8-13H2,1-3H3,(H2,26,33)(H,27,28)(H,29,30)/t16-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATM autophosphorylation at Ser1981 residue in human HT-29 cells measured after 1 hr by Hoechst staining based fluorescence assay				ACS Med Chem Lett 9: 809-814 (2018) Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50459008 (CHEMBL4217379) Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(NCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r| Show InChI InChI=1S/C25H33N7O2/c1-16(17-8-12-34-13-9-17)29-23-20-14-18(4-6-21(20)30-31-24(23)25(26)33)19-5-7-22(28-15-19)27-10-11-32(2)3/h4-7,14-17H,8-13H2,1-3H3,(H2,26,33)(H,27,28)(H,29,30)/t16-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+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 measured after 1 hr by Hoechst 33258 staining based fluorescence assay				ACS Med Chem Lett 9: 809-814 (2018) Article DOI: 10.1021/acsmedchemlett.8b00200 BindingDB Entry DOI: 10.7270/Q27D2XRQ
					More data for this Ligand-Target Pair