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BDBM50027973 6-[2-Bromo-5-(2,4-diamino-pyrimidin-5-ylmethyl)-3-methoxy-phenoxy]-hexanoic acid::CHEMBL286400

SMILES: COc1cc(Cc2cnc(N)nc2N)cc(OCCCCCC(O)=O)c1Br

InChI Key: InChIKey=XFOPYVPSJIAXSQ-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50027973   
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


(Escherichia coli)
BDBM50027973
PNG
(6-[2-Bromo-5-(2,4-diamino-pyrimidin-5-ylmethyl)-3-...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OCCCCCC(O)=O)c1Br
Show InChI InChI=1S/C18H23BrN4O4/c1-26-13-8-11(7-12-10-22-18(21)23-17(12)20)9-14(16(13)19)27-6-4-2-3-5-15(24)25/h8-10H,2-7H2,1H3,(H,24,25)(H4,20,21,22,23)
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0120n/an/an/an/an/an/an/an/a



Uniroyal Chemical Co., Inc.

Curated by ChEMBL




J Med Chem 31: 1396-406 (1988)


BindingDB Entry DOI: 10.7270/Q2P55QQJ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50027973
PNG
(6-[2-Bromo-5-(2,4-diamino-pyrimidin-5-ylmethyl)-3-...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OCCCCCC(O)=O)c1Br
Show InChI InChI=1S/C18H23BrN4O4/c1-26-13-8-11(7-12-10-22-18(21)23-17(12)20)9-14(16(13)19)27-6-4-2-3-5-15(24)25/h8-10H,2-7H2,1H3,(H,24,25)(H4,20,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant of compound against L. casei Dihydrofolate reductase


J Med Chem 27: 1672-6 (1985)


BindingDB Entry DOI: 10.7270/Q2G73CQG
More data for this
Ligand-Target Pair