BDBM50459016 CHEMBL4210045

SMILES: C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN2CCCC2)nc1)C(N)=O)c1nn(C)cc1C

InChI Key: InChIKey=WCTIJUBWNIDNOB-IBGZPJMESA-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 = 50459016   

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 ATR (Homo sapiens (Human))	BDBM50459016 (CHEMBL4210045) Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN2CCCC2)nc1)C(N)=O)c1nn(C)cc1C |r| Show InChI InChI=1S/C28H34N8O2/c1-18-17-35(3)34-25(18)19(2)31-26-22-15-20(7-9-23(22)32-33-27(26)28(29)37)21-8-10-24(30-16-21)38-14-6-13-36-11-4-5-12-36/h7-10,15-17,19H,4-6,11-14H2,1-3H3,(H2,29,37)(H,31,32)/t19-/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
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50459016 (CHEMBL4210045) Show SMILES C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN2CCCC2)nc1)C(N)=O)c1nn(C)cc1C |r| Show InChI InChI=1S/C28H34N8O2/c1-18-17-35(3)34-25(18)19(2)31-26-22-15-20(7-9-23(22)32-33-27(26)28(29)37)21-8-10-24(30-16-21)38-14-6-13-36-11-4-5-12-36/h7-10,15-17,19H,4-6,11-14H2,1-3H3,(H2,29,37)(H,31,32)/t19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	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