BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50023642   
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 (TS)


(Lactobacillus casei)
BDBM50023642
PNG
(Phosphoric acid mono-{5-[5-(4-cyano-phenyl)-2,4-di...)
Show SMILES OC1CC(OC1COP([O-])([O-])=O)n1cc(-c2ccc(cc2)C#N)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H16N3O8P/c17-6-9-1-3-10(4-2-9)11-7-19(16(22)18-15(11)21)14-5-12(20)13(27-14)8-26-28(23,24)25/h1-4,7,12-14,20H,5,8H2,(H,18,21,22)(H2,23,24,25)/p-2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
8.75E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory effect on Lactobacillus casei thymidylate synthase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thymidylate synthase


(Mus musculus)
BDBM50023642
PNG
(Phosphoric acid mono-{5-[5-(4-cyano-phenyl)-2,4-di...)
Show SMILES OC1CC(OC1COP([O-])([O-])=O)n1cc(-c2ccc(cc2)C#N)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H16N3O8P/c17-6-9-1-3-10(4-2-9)11-7-19(16(22)18-15(11)21)14-5-12(20)13(27-14)8-26-28(23,24)25/h1-4,7,12-14,20H,5,8H2,(H,18,21,22)(H2,23,24,25)/p-2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
9.78E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory effect on murine leukemia (L1210) thymidylate synthase


Citation and Details
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (human))
BDBM50023642
PNG
(Phosphoric acid mono-{5-[5-(4-cyano-phenyl)-2,4-di...)
Show SMILES OC1CC(OC1COP([O-])([O-])=O)n1cc(-c2ccc(cc2)C#N)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H16N3O8P/c17-6-9-1-3-10(4-2-9)11-7-19(16(22)18-15(11)21)14-5-12(20)13(27-14)8-26-28(23,24)25/h1-4,7,12-14,20H,5,8H2,(H,18,21,22)(H2,23,24,25)/p-2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
1.14E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory effect on human lymphoblast (Molt/4F) thymidylate synthase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)