BDBM323316 US9630956, Compound I-53

SMILES: CC(N)c1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1CCCC1

InChI Key: InChIKey=YDOKNQCWJSDXLE-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 = 323316   

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))	BDBM323316 (US9630956, Compound I-53) Show SMILES CC(N)c1cccc(c1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1CCCC1 Show InChI InChI=1S/C25H26N6O2/c1-15(26)16-5-4-6-17(11-16)20-12-22(33-30-20)24-25(27)28-13-21(29-24)18-9-10-23(32)31(14-18)19-7-2-3-8-19/h4-6,9-15,19H,2-3,7-8,26H2,1H3,(H2,27,28)	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