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SMILES: COc1ccc(cc1)-n1c(SCc2nnc(S)n2-c2ccc(Cl)cc2)nc2cc(OC)c(OC)cc2c1=O

InChI Key: InChIKey=KPCSNNYBAFWVNJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 226171   
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


(Bos taurus (Cattle))		BDBM226171
PNG
((6,7-Dimethoxy)-2-((4-(4-chlorophenyl)-5-mercapto-...)
Show SMILES COc1ccc(cc1)-n1c(SCc2nnc(S)n2-c2ccc(Cl)cc2)nc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C26H22ClN5O4S2/c1-34-18-10-8-17(9-11-18)32-24(33)19-12-21(35-2)22(36-3)13-20(19)28-26(32)38-14-23-29-30-25(37)31(23)16-6-4-15(27)5-7-16/h4-13H,14H2,1-3H3,(H,30,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.10E+4n/an/an/an/a7.425



Future University



Assay Description
The assay mixture contained 50 μM Tris-HCl buffer (pH 7.4), 50 μM NADPH, 10 μl DMSO or the same volume of DMSO solution containing the...

Bioorg Chem 72: 282-292 (2017)


BindingDB Entry DOI: 10.7270/Q2TX3D82
More data for this
Ligand-Target Pair