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SMILES: COC(=O)[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Nc1cc(OC)c(cc1C(=O)N2C)-c1cnco1

InChI Key: InChIKey=PFRWTUNRAYXAMT-QMHKHESXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50174794   
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))		BDBM50174794
PNG
(1-tert-butyl 5-methyl (3R,5S)-7'-methoxy-3'-methyl...)
Show SMILES COC(=O)[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Nc1cc(OC)c(cc1C(=O)N2C)-c1cnco1
Show InChI InChI=1S/C23H28N4O7/c1-22(2,3)34-21(30)27-11-23(9-16(27)20(29)32-6)25-15-8-17(31-5)14(18-10-24-12-33-18)7-13(15)19(28)26(23)4/h7-8,10,12,16,25H,9,11H2,1-6H3/t16-,23+/m0/s1
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MMDB

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n/an/a 948n/an/an/an/an/an/a



UCB Celltech

Curated by ChEMBL


Assay Description
Inhibitory activity against IMPDH II

Bioorg Med Chem Lett 15: 5335-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.108
BindingDB Entry DOI: 10.7270/Q2CZ36P8
More data for this
Ligand-Target Pair