BDBM323313 US9630956, Compound I-50

SMILES: CC(C)(C)NCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1CCCC1

InChI Key: InChIKey=GBVUPDSTFNIXHV-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 = 323313   

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))	BDBM323313 (US9630956, Compound I-50) Show SMILES CC(C)(C)NCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(=O)n(c1)C1CCCC1 Show InChI InChI=1S/C28H32N6O2/c1-28(2,3)31-15-18-8-10-19(11-9-18)22-14-24(36-33-22)26-27(29)30-16-23(32-26)20-12-13-25(35)34(17-20)21-6-4-5-7-21/h8-14,16-17,21,31H,4-7,15H2,1-3H3,(H2,29,30)	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