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BDBM50056235 6-{[Methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl}-pyrido[2,3-d]pyrimidine-2,4-diamine::CHEMBL142741

SMILES: COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1

InChI Key: InChIKey=RKRQAWUHVNRFPB-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50056235   
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)


(Toxoplasma gondii)
BDBM50056235
PNG
(6-{[Methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C18H22N6O3/c1-24(11-6-13(25-2)15(27-4)14(7-11)26-3)9-10-5-12-16(19)22-18(20)23-17(12)21-8-10/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dihydrofolate reductase from Toxoplasma gondii (tg)


J Med Chem 40: 470-8 (1997)


Article DOI: 10.1021/jm9606913
BindingDB Entry DOI: 10.7270/Q26W9968
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50056235
PNG
(6-{[Methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C18H22N6O3/c1-24(11-6-13(25-2)15(27-4)14(7-11)26-3)9-10-5-12-16(19)22-18(20)23-17(12)21-8-10/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
PDB
MMDB

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UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dihydrofolate reductase from Pneumocystis carinii (pc)


J Med Chem 40: 470-8 (1997)


Article DOI: 10.1021/jm9606913
BindingDB Entry DOI: 10.7270/Q26W9968
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50056235
PNG
(6-{[Methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C18H22N6O3/c1-24(11-6-13(25-2)15(27-4)14(7-11)26-3)9-10-5-12-16(19)22-18(20)23-17(12)21-8-10/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
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PubMed
n/an/a 280n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dihydrofolate reductase from Rat liver (rl)


J Med Chem 40: 470-8 (1997)


Article DOI: 10.1021/jm9606913
BindingDB Entry DOI: 10.7270/Q26W9968
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50056235
PNG
(6-{[Methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C18H22N6O3/c1-24(11-6-13(25-2)15(27-4)14(7-11)26-3)9-10-5-12-16(19)22-18(20)23-17(12)21-8-10/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
PDB
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n/an/a 280n/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


(Rattus norvegicus (rat))
BDBM50056235
PNG
(6-{[Methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C18H22N6O3/c1-24(11-6-13(25-2)15(27-4)14(7-11)26-3)9-10-5-12-16(19)22-18(20)23-17(12)21-8-10/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 280n/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)


(Escherichia coli)
BDBM50056235
PNG
(6-{[Methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C18H22N6O3/c1-24(11-6-13(25-2)15(27-4)14(7-11)26-3)9-10-5-12-16(19)22-18(20)23-17(12)21-8-10/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 9n/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
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50056235
PNG
(6-{[Methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C18H22N6O3/c1-24(11-6-13(25-2)15(27-4)14(7-11)26-3)9-10-5-12-16(19)22-18(20)23-17(12)21-8-10/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/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)
BDBM50056235
PNG
(6-{[Methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C18H22N6O3/c1-24(11-6-13(25-2)15(27-4)14(7-11)26-3)9-10-5-12-16(19)22-18(20)23-17(12)21-8-10/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 240n/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 (DHFR)


(Escherichia coli)
BDBM50056235
PNG
(6-{[Methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C18H22N6O3/c1-24(11-6-13(25-2)15(27-4)14(7-11)26-3)9-10-5-12-16(19)22-18(20)23-17(12)21-8-10/h5-8H,9H2,1-4H3,(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 240n/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