BDBM323398 2-[5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]-2-fluoro-phenyl]isoxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridyl]-2-ethyl-butanenitrile ::US9630956, Compound I-135

SMILES: CCC(CC)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1F

InChI Key: InChIKey=XMASRIZHFPPQMO-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 = 323398   

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))	BDBM323398 (2-[5-[5-amino-6-[3-[4-[(cyclopropylamino)methyl]-2...) Show SMILES CCC(CC)(C#N)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1F Show InChI InChI=1S/C26H26FN7O2/c1-4-26(5-2,15-28)34-14-17(7-9-23(34)35)21-13-31-25(29)24(32-21)22-11-20(33-36-22)18-8-6-16(12-30-3)10-19(18)27/h6-11,13-14,30H,4-5,12H2,1-3H3,(H2,29,31)	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