BindingDB logo
myBDB logout

BDBM50058717 CHEMBL3326850

SMILES: Cc1nc(N)sc1Sc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1

InChI Key: InChIKey=YSYOXZUGXUFMKJ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50058717   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50058717
PNG
(CHEMBL3326850)
Show SMILES Cc1nc(N)sc1Sc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C19H15ClN4OS2/c1-11-17(26-18(21)22-11)27-19-23-15-8-7-13(20)9-14(15)16(25)24(19)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR


Bioorg Med Chem Lett 24: 4557-67 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.070
BindingDB Entry DOI: 10.7270/Q2CZ38TW
More data for this
Ligand-Target Pair