BDBM268042 4-[2-fluoro-4-(methylsulfonyl)phenyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine::US9549932, 74

SMILES: CSc1ccc(c(F)c1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOC[C@H]1C

InChI Key: InChIKey=FIHPKESSWHTPBN-QOBPCVTDSA-N

Data: 1 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 1 hit for monomerid = 268042   

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))	BDBM268042 (4-[2-fluoro-4-(methylsulfonyl)phenyl]-2-[(3R)-3-me...) Show SMILES CSc1ccc(c(F)c1)-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C28H30FN5O2S/c1-18-17-35-14-12-33(18)25-16-22(20-7-6-19(37-2)15-23(20)29)21-8-10-30-28(27(21)32-25)24-9-11-31-34(24)26-5-3-4-13-36-26/h6-11,15-16,18,26H,3-5,12-14,17H2,1-2H3/t18-,26?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.10	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US9549932 (2017) BindingDB Entry DOI: 10.7270/Q27S7QSC
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