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BDBM50107997 6-[(2-Chloro-5-methyl-phenylamino)-methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine::CHEMBL149273

SMILES: Cc1ccc(Cl)c(NCc2cnc3nc(N)nc(N)c3c2C)c1

InChI Key: InChIKey=YADRPZLGQLZNAM-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50107997   
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))
BDBM50107997
PNG
(6-[(2-Chloro-5-methyl-phenylamino)-methyl]-5-methy...)
Show SMILES Cc1ccc(Cl)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C16H17ClN6/c1-8-3-4-11(17)12(5-8)20-6-10-7-21-15-13(9(10)2)14(18)22-16(19)23-15/h3-5,7,20H,6H2,1-2H3,(H4,18,19,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 44n/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)


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


(Homo sapiens (Human))
BDBM50107997
PNG
(6-[(2-Chloro-5-methyl-phenylamino)-methyl]-5-methy...)
Show SMILES Cc1ccc(Cl)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C16H17ClN6/c1-8-3-4-11(17)12(5-8)20-6-10-7-21-15-13(9(10)2)14(18)22-16(19)23-15/h3-5,7,20H,6H2,1-2H3,(H4,18,19,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 0.950n/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)


BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair