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BDBM50051925 CHEMBL32769::N*6*-(3,4-Dimethoxy-benzyl)-pyrido[2,3-d]pyrimidine-2,4,6-triamine

SMILES: COc1ccc(CNc2cnc3nc(N)nc(N)c3c2)cc1OC

InChI Key: InChIKey=CZEROOBFXZEQPV-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50051925   
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


(Rattus norvegicus (rat))
BDBM50051925
PNG
(CHEMBL32769 | N*6*-(3,4-Dimethoxy-benzyl)-pyrido[2...)
Show SMILES COc1ccc(CNc2cnc3nc(N)nc(N)c3c2)cc1OC
Show InChI InChI=1S/C16H18N6O2/c1-23-12-4-3-9(5-13(12)24-2)7-19-10-6-11-14(17)21-16(18)22-15(11)20-8-10/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver dihydrofolate reductase (in 90 microM dihydrofolic acid)


J Med Chem 39: 1438-46 (1996)


Article DOI: 10.1021/jm950786p
BindingDB Entry DOI: 10.7270/Q2PK0F8N
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50051925
PNG
(CHEMBL32769 | N*6*-(3,4-Dimethoxy-benzyl)-pyrido[2...)
Show SMILES COc1ccc(CNc2cnc3nc(N)nc(N)c3c2)cc1OC
Show InChI InChI=1S/C16H18N6O2/c1-23-12-4-3-9(5-13(12)24-2)7-19-10-6-11-14(17)21-16(18)22-15(11)20-8-10/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 730n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase (in 90 microM dihydrofolic acid)


J Med Chem 39: 1438-46 (1996)


Article DOI: 10.1021/jm950786p
BindingDB Entry DOI: 10.7270/Q2PK0F8N
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50051925
PNG
(CHEMBL32769 | N*6*-(3,4-Dimethoxy-benzyl)-pyrido[2...)
Show SMILES COc1ccc(CNc2cnc3nc(N)nc(N)c3c2)cc1OC
Show InChI InChI=1S/C16H18N6O2/c1-23-12-4-3-9(5-13(12)24-2)7-19-10-6-11-14(17)21-16(18)22-15(11)20-8-10/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 730n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii dihydrofolate reductase


J Med Chem 48: 1448-69 (2005)


Article DOI: 10.1021/jm040153n
BindingDB Entry DOI: 10.7270/Q2V40TQ3
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50051925
PNG
(CHEMBL32769 | N*6*-(3,4-Dimethoxy-benzyl)-pyrido[2...)
Show SMILES COc1ccc(CNc2cnc3nc(N)nc(N)c3c2)cc1OC
Show InChI InChI=1S/C16H18N6O2/c1-23-12-4-3-9(5-13(12)24-2)7-19-10-6-11-14(17)21-16(18)22-15(11)20-8-10/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Pneumocystis carinii dihydrofolate reductase


J Med Chem 48: 1448-69 (2005)


Article DOI: 10.1021/jm040153n
BindingDB Entry DOI: 10.7270/Q2V40TQ3
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50051925
PNG
(CHEMBL32769 | N*6*-(3,4-Dimethoxy-benzyl)-pyrido[2...)
Show SMILES COc1ccc(CNc2cnc3nc(N)nc(N)c3c2)cc1OC
Show InChI InChI=1S/C16H18N6O2/c1-23-12-4-3-9(5-13(12)24-2)7-19-10-6-11-14(17)21-16(18)22-15(11)20-8-10/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of rat liver dihydrofolate reductase


J Med Chem 48: 1448-69 (2005)


Article DOI: 10.1021/jm040153n
BindingDB Entry DOI: 10.7270/Q2V40TQ3
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50051925
PNG
(CHEMBL32769 | N*6*-(3,4-Dimethoxy-benzyl)-pyrido[2...)
Show SMILES COc1ccc(CNc2cnc3nc(N)nc(N)c3c2)cc1OC
Show InChI InChI=1S/C16H18N6O2/c1-23-12-4-3-9(5-13(12)24-2)7-19-10-6-11-14(17)21-16(18)22-15(11)20-8-10/h3-6,8,19H,7H2,1-2H3,(H4,17,18,20,21,22)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase (in 90 microM dihydrofolic acid)


J Med Chem 39: 1438-46 (1996)


Article DOI: 10.1021/jm950786p
BindingDB Entry DOI: 10.7270/Q2PK0F8N
More data for this
Ligand-Target Pair