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SMILES: Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3ccc(CNC(=O)C(C)(C)C)cc3)cc12

InChI Key: InChIKey=ZDMTZWXBWWRJSB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133724   
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
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))		BDBM50133724
PNG
(CHEMBL119407 | N-{4-[2-(3-Cyano-1-methyl-1H-indol-...)
Show SMILES Cn1cc(C#N)c2ccc(Nc3ncc(o3)-c3ccc(CNC(=O)C(C)(C)C)cc3)cc12
Show InChI InChI=1S/C25H25N5O2/c1-25(2,3)23(31)27-13-16-5-7-17(8-6-16)22-14-28-24(32-22)29-19-9-10-20-18(12-26)15-30(4)21(20)11-19/h5-11,14-15H,13H2,1-4H3,(H,27,31)(H,28,29)
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n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity tested against inosine-5'-monophosphate dehydrogenase 2 (IMPDH-II) enzyme

Bioorg Med Chem Lett 13: 3557-60 (2003)


BindingDB Entry DOI: 10.7270/Q2J67G94
More data for this
Ligand-Target Pair