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3 similar compounds to monomer 50054006

Compile data set for download or QSAR
Wt: 312.7
BDBM50054031
Wt: 331.2
BDBM50054012
Wt: 296.7
BDBM50054048

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50054031,50054012,50054048   
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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054012
PNG
((E)-6-(2,3-Dichloro-6-methoxy-4,5-dimethyl-phenyl)...)
Show SMILES COc1c(C)c(C)c(Cl)c(Cl)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H20Cl2O3/c1-9(6-8-13(19)20)5-7-12-15(18)14(17)10(2)11(3)16(12)21-4/h5H,6-8H2,1-4H3,(H,19,20)/b9-5+
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PC sid
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Article
PubMed
n/an/a 557n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at 100 microM


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054048
PNG
((E)-6-(6-Chloro-2-methoxy-3,4-dimethyl-phenyl)-4-m...)
Show SMILES COc1c(C)c(C)cc(Cl)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H21ClO3/c1-10(6-8-15(18)19)5-7-13-14(17)9-11(2)12(3)16(13)20-4/h5,9H,6-8H2,1-4H3,(H,18,19)/b10-5+
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Article
PubMed
n/an/a 1.88E+4n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at 100 microM


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50054031
PNG
((E)-6-(2-Chloro-3-hydroxy-6-methoxy-4,5-dimethyl-p...)
Show SMILES COc1c(C)c(C)c(O)c(Cl)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C16H21ClO4/c1-9(6-8-13(18)19)5-7-12-14(17)15(20)10(2)11(3)16(12)21-4/h5,20H,6-8H2,1-4H3,(H,18,19)/b9-5+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.88E+3n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type II Inosine Monophosphate Dehydrogenase at 100 microM


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair