BDBM323393 US9630956, Compound I-130

SMILES: CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CN[C@@H]2CCC(F)C2)cc1

InChI Key: InChIKey=NXFMZRPNOOMXSZ-FOIFJWKZSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 323393   

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))	BDBM323393 (US9630956, Compound I-130) Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CN[C@@H]2CCC(F)C2)cc1 |r| Show InChI InChI=1S/C29H33FN6O2/c1-3-23(4-2)36-17-20(9-12-27(36)37)25-16-33-29(31)28(34-25)26-14-24(35-38-26)19-7-5-18(6-8-19)15-32-22-11-10-21(30)13-22/h5-9,12,14,16-17,21-23,32H,3-4,10-11,13,15H2,1-2H3,(H2,31,33)/t21?,22-/m1/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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