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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)' and Ligand = 'BDBM50192467'   
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
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50192467
PNG
(CHEMBL384114 | P1-[7-hydroxy-6-(ethyl-2-yl)-5-meth...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)OCP(O)(=O)OCC1OC([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C23H29N5O14P2/c1-10-12-5-38-23(32)14(12)16(29)11(19(10)37-2)3-4-39-44(35,36)41-9-43(33,34)40-6-13-17(30)18(31)22(42-13)28-8-27-15-20(24)25-7-26-21(15)28/h7-8,13,17-18,22,29-31H,3-6,9H2,1-2H3,(H,33,34)(H,35,36)(H2,24,25,26)/t13?,17-,18-,22?/m0/s1
PDB
MMDB

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Similars

Article
PubMed
37n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 49: 5018-22 (2006)


Article DOI: 10.1021/jm060479r
BindingDB Entry DOI: 10.7270/Q2PZ58GZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)