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BDBM50135144 6-{[Methyl-(3,4,5-trichloro-phenyl)-amino]-methyl}-pyrido[2,3-d]pyrimidine-2,4-diamine::CHEMBL149099

SMILES: CN(Cc1cnc2nc(N)nc(N)c2c1)c1cc(Cl)c(Cl)c(Cl)c1

InChI Key: InChIKey=BAJKEZKTPVSDCJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50135144   
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)


(Escherichia coli)
BDBM50135144
PNG
(6-{[Methyl-(3,4,5-trichloro-phenyl)-amino]-methyl}...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl3N6/c1-24(8-3-10(16)12(18)11(17)4-8)6-7-2-9-13(19)22-15(20)23-14(9)21-5-7/h2-5H,6H2,1H3,(H4,19,20,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 196n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from pneumocystis carinii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50135144
PNG
(6-{[Methyl-(3,4,5-trichloro-phenyl)-amino]-methyl}...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl3N6/c1-24(8-3-10(16)12(18)11(17)4-8)6-7-2-9-13(19)22-15(20)23-14(9)21-5-7/h2-5H,6H2,1H3,(H4,19,20,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from rat liver.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Escherichia coli)
BDBM50135144
PNG
(6-{[Methyl-(3,4,5-trichloro-phenyl)-amino]-methyl}...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2c1)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl3N6/c1-24(8-3-10(16)12(18)11(17)4-8)6-7-2-9-13(19)22-15(20)23-14(9)21-5-7/h2-5H,6H2,1H3,(H4,19,20,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.98E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from toxoplasma gondii.


J Med Chem 46: 5074-82 (2003)


Article DOI: 10.1021/jm030312n
BindingDB Entry DOI: 10.7270/Q2J38RZ9
More data for this
Ligand-Target Pair