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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50226275   
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
Thymidylate synthase


(Lactobacillus casei)
BDBM50226275
PNG
(CHEMBL267104)
Show SMILES Cc1c(CNc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)nc(O)c12
Show InChI InChI=1S/C21H22N6O6/c1-10-12(9-24-17-16(10)19(31)27-21(22)26-17)8-23-13-4-2-11(3-5-13)18(30)25-14(20(32)33)6-7-15(28)29/h2-5,9,14,23H,6-8H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H3,22,24,26,27,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory effect on the thymidylate synthase (TS) of Lactobacillus casei


J Med Chem 29: 1080-7 (1986)


BindingDB Entry DOI: 10.7270/Q2416XMQ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50226275
PNG
(CHEMBL267104)
Show SMILES Cc1c(CNc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)nc(O)c12
Show InChI InChI=1S/C21H22N6O6/c1-10-12(9-24-17-16(10)19(31)27-21(22)26-17)8-23-13-4-2-11(3-5-13)18(30)25-14(20(32)33)6-7-15(28)29/h2-5,9,14,23H,6-8H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H3,22,24,26,27,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory effect on the dihydrofolate reductase (DHFR) of Lactobacillus casei


J Med Chem 29: 1080-7 (1986)


BindingDB Entry DOI: 10.7270/Q2416XMQ
More data for this
Ligand-Target Pair