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BDBM50107967 6-[(3,4-Dimethoxy-phenylamino)-methyl]-5-methoxymethyl-pyrido[2,3-d]pyrimidine-2,4-diamine::CHEMBL151129

SMILES: COCc1c(CNc2ccc(OC)c(OC)c2)cnc2nc(N)nc(N)c12

InChI Key: InChIKey=FBYMQKFBKBGAIV-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50107967   
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


(Homo sapiens (Human))
BDBM50107967
PNG
(6-[(3,4-Dimethoxy-phenylamino)-methyl]-5-methoxyme...)
Show SMILES COCc1c(CNc2ccc(OC)c(OC)c2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C18H22N6O3/c1-25-9-12-10(8-22-17-15(12)16(19)23-18(20)24-17)7-21-11-4-5-13(26-2)14(6-11)27-3/h4-6,8,21H,7,9H2,1-3H3,(H4,19,20,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10E+3n/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


(Homo sapiens (Human))
BDBM50107967
PNG
(6-[(3,4-Dimethoxy-phenylamino)-methyl]-5-methoxyme...)
Show SMILES COCc1c(CNc2ccc(OC)c(OC)c2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C18H22N6O3/c1-25-9-12-10(8-22-17-15(12)16(19)23-18(20)24-17)7-21-11-4-5-13(26-2)14(6-11)27-3/h4-6,8,21H,7,9H2,1-3H3,(H4,19,20,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/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