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BDBM50026384 2-{4-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid::CHEMBL173271

SMILES: Nc1nc(N)c2CC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)CNc2n1

InChI Key: InChIKey=JVKOZIXIYHORFY-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50026384   
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)
BDBM50026384
PNG
(2-{4-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pyrido[2,3...)
Show SMILES Nc1nc(N)c2CC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)CNc2n1
Show InChI InChI=1S/C21H26N6O5/c22-17-14-9-12(10-24-18(14)27-21(23)26-17)2-1-11-3-5-13(6-4-11)19(30)25-15(20(31)32)7-8-16(28)29/h3-6,12,15H,1-2,7-10H2,(H,25,30)(H,28,29)(H,31,32)(H5,22,23,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 71n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against beef liver dihydrofolate reductase


J Med Chem 28: 914-21 (1985)


Article DOI: 10.1021/jm00145a012
BindingDB Entry DOI: 10.7270/Q2CN74HM
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50026384
PNG
(2-{4-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pyrido[2,3...)
Show SMILES Nc1nc(N)c2CC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)CNc2n1
Show InChI InChI=1S/C21H26N6O5/c22-17-14-9-12(10-24-18(14)27-21(23)26-17)2-1-11-3-5-13(6-4-11)19(30)25-15(20(31)32)7-8-16(28)29/h3-6,12,15H,1-2,7-10H2,(H,25,30)(H,28,29)(H,31,32)(H5,22,23,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.20E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Lactobacillus casei thymidylate synthetase


J Med Chem 28: 914-21 (1985)


Article DOI: 10.1021/jm00145a012
BindingDB Entry DOI: 10.7270/Q2CN74HM
More data for this
Ligand-Target Pair