BDBM323374 5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]phenyl]isoxazol-5-yl]pyrazin-2-yl]-1H-pyridin-2-one ::US9630956, Compound I-111

SMILES: Nc1ncc(nc1-c1cc(no1)-c1ccc(CNC2CC2)cc1)-c1ccc(=O)[nH]c1

InChI Key: InChIKey=BRISVTIGGKEIOR-UHFFFAOYSA-N

Data: 1 KI

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 = 323374   

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))	BDBM323374 (5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]pheny...) Show SMILES Nc1ncc(nc1-c1cc(no1)-c1ccc(CNC2CC2)cc1)-c1ccc(=O)[nH]c1 Show InChI InChI=1S/C22H20N6O2/c23-22-21(27-18(12-26-22)15-5-8-20(29)25-11-15)19-9-17(28-30-19)14-3-1-13(2-4-14)10-24-16-6-7-16/h1-5,8-9,11-12,16,24H,6-7,10H2,(H2,23,26)(H,25,29)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Incorporated US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
					More data for this Ligand-Target Pair