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SMILES: COCCOc1cc(OC)cc(c1)-c1ccc(Cc2c[nH]c3nc(N)[nH]c(=O)c23)cc1

InChI Key: InChIKey=FRDOZQCDHFDZKR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50528954   
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
Bifunctional dihydrofolate reductase-thymidylate synthase


(Cryptosporidium hominis)		BDBM50528954
PNG
(CHEMBL4565818)
Show SMILES COCCOc1cc(OC)cc(c1)-c1ccc(Cc2c[nH]c3nc(N)[nH]c(=O)c23)cc1
Show InChI InChI=1S/C23H24N4O4/c1-29-7-8-31-19-11-16(10-18(12-19)30-2)15-5-3-14(4-6-15)9-17-13-25-21-20(17)22(28)27-23(24)26-21/h3-6,10-13H,7-9H2,1-2H3,(H4,24,25,26,27,28)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.70E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cryptosporidium hominis TS-DHFR expresssed in Escherichia coli PA414 using dUMP and 5,10-methylenetetrahydrofolate as subst...

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111673
More data for this
Ligand-Target Pair