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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50077851'   
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


(Escherichia coli)		BDBM50077851
PNG
(3,3-Bis-(4-hydroxy-phenyl)-3H-naphtho[2,3-c]furan-...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2cc3ccccc3cc12)c1ccc(O)cc1
Show InChI InChI=1S/C24H16O4/c25-19-9-5-17(6-10-19)24(18-7-11-20(26)12-8-18)22-14-16-4-2-1-3-15(16)13-21(22)23(27)28-24/h1-14,25-26H
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 7.00E+3n/an/an/an/an/an/an/an/a



Università di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
In vitro inhibition of Lactobacillus casei Thymidylate synthase.

J Med Chem 42: 2112-24 (1999)


Article DOI: 10.1021/jm9900016
BindingDB Entry DOI: 10.7270/Q23F4NT5
More data for this
Ligand-Target Pair