BDBM323275 US9630956, Compound I-13

SMILES: CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CN[C@H]2CCOC2)cc1C

InChI Key: InChIKey=UYGQWQKWUCUTRC-IBGZPJMESA-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 = 323275   

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))	BDBM323275 (US9630956, Compound I-13) Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CN[C@H]2CCOC2)cc1C |r| Show InChI InChI=1S/C26H29N7O3/c1-15(2)33-13-18(5-7-22(33)34)21-12-29-24(27)23(30-21)26-32-31-25(36-26)20-6-4-17(10-16(20)3)11-28-19-8-9-35-14-19/h4-7,10,12-13,15,19,28H,8-9,11,14H2,1-3H3,(H2,27,29)/t19-/m0/s1	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
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