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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50077845   
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)		BDBM50077845
PNG
(3,3-Bis-(3-chloro-4-hydroxy-phenyl)-3H-isobenzofur...)
Show SMILES Oc1ccc(cc1Cl)C1(OC(=O)c2ccccc12)c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C20H12Cl2O4/c21-15-9-11(5-7-17(15)23)20(12-6-8-18(24)16(22)10-12)14-4-2-1-3-13(14)19(25)26-20/h1-10,23-24H
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MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 1.90E+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