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BDBM50050410 6-[(5-Methoxy-2-methyl-phenylamino)-methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine::CHEMBL23713

SMILES: COc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3c2C)c1

InChI Key: InChIKey=JGJKINSQWJXDJD-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50050410   
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)
BDBM50050410
PNG
(6-[(5-Methoxy-2-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H20N6O/c1-9-4-5-12(24-3)6-13(9)20-7-11-8-21-16-14(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Toxoplasma gondii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50050410
PNG
(6-[(5-Methoxy-2-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H20N6O/c1-9-4-5-12(24-3)6-13(9)20-7-11-8-21-16-14(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Pneumocystis carinii dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50050410
PNG
(6-[(5-Methoxy-2-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H20N6O/c1-9-4-5-12(24-3)6-13(9)20-7-11-8-21-16-14(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50050410
PNG
(6-[(5-Methoxy-2-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H20N6O/c1-9-4-5-12(24-3)6-13(9)20-7-11-8-21-16-14(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
PDB
MMDB

NCI pathway
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against human dihydrofolate reductase (hDHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50050410
PNG
(6-[(5-Methoxy-2-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H20N6O/c1-9-4-5-12(24-3)6-13(9)20-7-11-8-21-16-14(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against rat liver dihydrofolate reductase


J Med Chem 39: 1271-80 (1996)


Article DOI: 10.1021/jm950760y
BindingDB Entry DOI: 10.7270/Q2154G39
More data for this
Ligand-Target Pair