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BDBM50438438 CHEMBL2414374

SMILES: Nc1nc(cs1)-c1n[nH]c(=S)n1-c1ccc(Cl)cc1

InChI Key: InChIKey=OUJMPLIIVYZEBO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50438438   
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
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50438438
PNG
(CHEMBL2414374)
Show SMILES Nc1nc(cs1)-c1n[nH]c(=S)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H8ClN5S2/c12-6-1-3-7(4-2-6)17-9(15-16-11(17)18)8-5-19-10(13)14-8/h1-5H,(H2,13,14)(H,16,18)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR measured every 1 min for 10 mins


Eur J Med Chem 66: 135-45 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.039
BindingDB Entry DOI: 10.7270/Q21C1Z9Q
More data for this
Ligand-Target Pair