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SMILES: CC[C@@H](C)Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(N)c1C=O

InChI Key: InChIKey=SVOFPTVACXACGU-SECBINFHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50235359   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50235359
PNG
(CHEMBL4088242)
Show SMILES CC[C@@H](C)Oc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(N)c1C=O |r|
Show InChI InChI=1S/C15H19N5O4S/c1-3-9(2)24-14-12(8-21)13(16)19-15(20-14)18-10-4-6-11(7-5-10)25(17,22)23/h4-9H,3H2,1-2H3,(H2,17,22,23)(H3,16,18,19,20)/t9-/m1/s1
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Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme

J Med Chem 60: 1746-1767 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01254
BindingDB Entry DOI: 10.7270/Q2833V86
More data for this
Ligand-Target Pair