BDBM323363 US9630956, Compound I-100

SMILES: CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(c1)C(C)C

InChI Key: InChIKey=LKYHMMXDKOXIGU-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 = 323363   

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))	BDBM323363 (US9630956, Compound I-100) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1c[nH]c(=O)c(c1)C(C)C Show InChI InChI=1S/C23H24N6O2/c1-13(2)17-8-16(11-27-23(17)30)19-12-26-22(24)21(28-19)20-9-18(29-31-20)15-6-4-14(5-7-15)10-25-3/h4-9,11-13,25H,10H2,1-3H3,(H2,24,26)(H,27,30)	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