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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM323340'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM323340
PNG
(US9630956, Compound I-77)
Show SMILES CC[C@H](C)CCn1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC)cc1 |r|
Show InChI InChI=1S/C26H30N6O2/c1-4-17(2)11-12-32-16-20(9-10-24(32)33)22-15-29-26(27)25(30-22)23-13-21(31-34-23)19-7-5-18(6-8-19)14-28-3/h5-10,13,15-17,28H,4,11-12,14H2,1-3H3,(H2,27,29)/t17-/m0/s1
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<5n/an/an/an/an/an/an/an/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