BDBM268039 2-{2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]aniline::US9549932, 71

SMILES: C[C@@H]1COCCN1c1cc(-c2ccccc2N)c2ccnc(-c3ccnn3C3CCCCO3)c2n1

InChI Key: InChIKey=JYXMXFAFTTUYJL-YDONVPIESA-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 = 268039   

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))	BDBM268039 (2-{2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5...) Show SMILES C[C@@H]1COCCN1c1cc(-c2ccccc2N)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C27H30N6O2/c1-18-17-34-15-13-32(18)24-16-21(19-6-2-3-7-22(19)28)20-9-11-29-27(26(20)31-24)23-10-12-30-33(23)25-8-4-5-14-35-25/h2-3,6-7,9-12,16,18,25H,4-5,8,13-15,17,28H2,1H3/t18-,25?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.65	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
					More data for this Ligand-Target Pair