BindingDB logo
myBDB logout

BDBM50298828 (R)-5-(3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-ynyl)-6-methylpyrimidine-2,4-diamine::5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine::CHEMBL573077

SMILES: COc1cc(cc(c1)-c1c(C)cccc1C)[C@@H](C)C#Cc1c(C)nc(N)nc1N

InChI Key: InChIKey=XZXVRKHUCSXVBM-AWEZNQCLSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50298828   
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)


(Candida albicans)
BDBM50298828
PNG
((R)-5-(3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)bu...)
Show SMILES COc1cc(cc(c1)-c1c(C)cccc1C)[C@@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C24H26N4O/c1-14(9-10-21-17(4)27-24(26)28-23(21)25)18-11-19(13-20(12-18)29-5)22-15(2)7-6-8-16(22)3/h6-8,11-14H,1-5H3,(H4,25,26,27,28)/t14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Bioorg Med Chem 17: 4866-72 (2009)


Article DOI: 10.1016/j.bmc.2009.06.021
BindingDB Entry DOI: 10.7270/Q2JM29P7
More data for this
Ligand-Target Pair