BDBM50465367 CHEMBL4293269

SMILES: [H][C@@]12COC[C@@H](C)N1c1nc(nc(c1OC2)C(C)(C)S(C)(=O)=O)-c1c(NCC)cnc2[nH]ccc12

InChI Key: InChIKey=PAEFRKXGUAROEW-KGLIPLIRSA-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 = 50465367   

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))	BDBM50465367 (CHEMBL4293269) Show SMILES [H][C@@]12COC[C@@H](C)N1c1nc(nc(c1OC2)C(C)(C)S(C)(=O)=O)-c1c(NCC)cnc2[nH]ccc12 |r| Show InChI InChI=1S/C23H30N6O4S/c1-6-24-16-9-26-20-15(7-8-25-20)17(16)21-27-19(23(3,4)34(5,30)31)18-22(28-21)29-13(2)10-32-11-14(29)12-33-18/h7-9,13-14,24H,6,10-12H2,1-5H3,(H,25,26)/t13-,14+/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab LLC Curated by ChEMBL					Assay Description Inhibition of ATR in human HT29 cells assessed as reduction in Chk1 phosphorylation at Ser345 residues after 4 hrs by Alexa Fluor 488 staining based ...				ACS Med Chem Lett 9: 292-293 (2018) Article DOI: 10.1021/acsmedchemlett.8b00107 BindingDB Entry DOI: 10.7270/Q21J9DFN
					More data for this Ligand-Target Pair
ATR/ATRIP (Homo sapiens (Human))	BDBM50465367 (CHEMBL4293269) Show SMILES [H][C@@]12COC[C@@H](C)N1c1nc(nc(c1OC2)C(C)(C)S(C)(=O)=O)-c1c(NCC)cnc2[nH]ccc12 |r| Show InChI InChI=1S/C23H30N6O4S/c1-6-24-16-9-26-20-15(7-8-25-20)17(16)21-27-19(23(3,4)34(5,30)31)18-22(28-21)29-13(2)10-32-11-14(29)12-33-18/h7-9,13-14,24H,6,10-12H2,1-5H3,(H,25,26)/t13-,14+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab LLC Curated by ChEMBL					Assay Description Inhibition of recombinant human full length ATR/ATRIP expressed in mammalian expression system using c-Myc-tagged p53 as substrate incubated for 15 m...				ACS Med Chem Lett 9: 292-293 (2018) Article DOI: 10.1021/acsmedchemlett.8b00107 BindingDB Entry DOI: 10.7270/Q21J9DFN
					More data for this Ligand-Target Pair