BDBM268052 (1-{2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl}piperidin-4-yl)methanol::US9549932, 84

SMILES: C[C@@H]1COCCN1c1cc(N2CCC(CO)CC2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1

InChI Key: InChIKey=FUODIBSZMFBXNC-OEPVSBQMSA-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 = 268052   

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))	BDBM268052 ((1-{2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-...) Show SMILES C[C@@H]1COCCN1c1cc(N2CCC(CO)CC2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C27H36N6O3/c1-19-18-35-15-13-32(19)24-16-23(31-11-7-20(17-34)8-12-31)21-5-9-28-27(26(21)30-24)22-6-10-29-33(22)25-4-2-3-14-36-25/h5-6,9-10,16,19-20,25,34H,2-4,7-8,11-15,17-18H2,1H3/t19-,25?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	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