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BDBM50160594 CHEMBL3785320

SMILES: Cl.CC1(C)N=C(N)N=C(N)N1c1ccc(\C=C\C(=O)c2ccccc2)cc1

InChI Key: InChIKey=AWCFFMXAOITUPZ-RSGUCCNWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50160594   
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


(Homo sapiens (Human))
BDBM50160594
PNG
(CHEMBL3785320)
Show SMILES Cl.CC1(C)N=C(N)N=C(N)N1c1ccc(\C=C\C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H21N5O.ClH/c1-20(2)24-18(21)23-19(22)25(20)16-11-8-14(9-12-16)10-13-17(26)15-6-4-3-5-7-15;/h3-13H,1-2H3,(H4,21,22,23,24);1H/b13-10+;
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dihydrofolate reductase using dihydrofolate as substrate measured every 30 secs over 6 mins by UV/visible spectrophot...


Eur J Med Chem 115: 63-74 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.002
BindingDB Entry DOI: 10.7270/Q20R9R9R
More data for this
Ligand-Target Pair