BDBM50468009 CHEMBL4286105

SMILES: C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2cc(F)ccc12)C1(CC1)S(C)(=O)=O

InChI Key: InChIKey=YOHWFCAJLSLBIS-GFCCVEGCSA-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 = 50468009   

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))	BDBM50468009 (CHEMBL4286105) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2cc(F)ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23FN6O3S/c1-12-11-30-8-7-26(12)17-10-16(20(5-6-20)31(2,28)29)24-19(25-17)27-15-4-3-13(21)9-14(15)23-18(27)22/h3-4,9-10,12H,5-8,11H2,1-2H3,(H2,22,23)/t12-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HT29 cells after 60 mins by Hoechst 33258 staining-based assay				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50468009 (CHEMBL4286105) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2cc(F)ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23FN6O3S/c1-12-11-30-8-7-26(12)17-10-16(20(5-6-20)31(2,28)29)24-19(25-17)27-15-4-3-13(21)9-14(15)23-18(27)22/h3-4,9-10,12H,5-8,11H2,1-2H3,(H2,22,23)/t12-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...				J Med Chem 61: 9889-9907 (2018) Article DOI: 10.1021/acs.jmedchem.8b01187 BindingDB Entry DOI: 10.7270/Q2S46VPQ
					More data for this Ligand-Target Pair