BDBM323290 US9630956, Compound I-27

SMILES: CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(CC(F)(F)F)c2)c(C)c1

InChI Key: InChIKey=HNRFHWCSNSZVIE-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 = 323290   

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))	BDBM323290 (US9630956, Compound I-27) Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(CC(F)(F)F)c2)c(C)c1 Show InChI InChI=1S/C22H20F3N7O2/c1-12-7-13(8-27-2)3-5-15(12)20-30-31-21(34-20)18-19(26)28-9-16(29-18)14-4-6-17(33)32(10-14)11-22(23,24)25/h3-7,9-10,27H,8,11H2,1-2H3,(H2,26,28)	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