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BDBM50010230 CHEMBL3245586

SMILES: COC(=O)C[C@H](NC(=O)Nc1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(=O)OC

InChI Key: InChIKey=UCRGOHIYSDFDLY-YQTOOIBONA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010230   
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


(Lactobacillus casei)
BDBM50010230
PNG
(CHEMBL3245586)
Show SMILES COC(=O)C[C@H](NC(=O)Nc1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(=O)OC
Show InChI InChI=1/C21H25N9O5/c1-30(10-12-9-24-18-16(25-12)17(22)28-20(23)29-18)13-6-4-11(5-7-13)26-21(33)27-14(19(32)35-3)8-15(31)34-2/h4-7,9,14H,8,10H2,1-3H3,(H2,26,27,33)(H4,22,23,24,28,29)/t14-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Lactobacillus casei ATCC 7469 dihydrofolate reductase


J Med Chem 22: 869-74 (1979)


Article DOI: 10.1021/jm00193a022
BindingDB Entry DOI: 10.7270/Q22B90KQ
More data for this
Ligand-Target Pair