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SMILES: COc1ccc(Nc2nnc(CSc3nc4cc(OC)c(OC)cc4c(=O)n3-c3ccc(OC)cc3)s2)cc1

InChI Key: InChIKey=QOZUFEQUZSMSKC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 226176   
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))		BDBM226176
PNG
(6,7-Dimethoxy-2-((5-(4-methoxyphenylamino)-1,3,4-t...)
Show SMILES COc1ccc(Nc2nnc(CSc3nc4cc(OC)c(OC)cc4c(=O)n3-c3ccc(OC)cc3)s2)cc1
Show InChI InChI=1S/C27H25N5O5S2/c1-34-18-9-5-16(6-10-18)28-26-31-30-24(39-26)15-38-27-29-21-14-23(37-4)22(36-3)13-20(21)25(33)32(27)17-7-11-19(35-2)12-8-17/h5-14H,15H2,1-4H3,(H,28,31)
PDB

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.18E+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