BDBM87064 Sulfonamide derivative, 5

SMILES: CC(CCC(=O)Nc1nnc(s1)S(N)(=O)=O)C1CCC2C3C(CC4CC(CCC4(C)C3CC(OC(C)=O)C12C)OC(C)=O)OC(C)=O

InChI Key: InChIKey=MJLLURNREQGHPE-UHFFFAOYSA-N

Data: 1 KI  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 = 87064   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human))	BDBM87064 (Sulfonamide derivative, 5) Show SMILES CC(CCC(=O)Nc1nnc(s1)S(N)(=O)=O)C1CCC2C3C(CC4CC(CCC4(C)C3CC(OC(C)=O)C12C)OC(C)=O)OC(C)=O Show InChI InChI=1S/C32H48N4O9S2/c1-16(7-10-27(40)34-29-35-36-30(46-29)47(33,41)42)22-8-9-23-28-24(15-26(32(22,23)6)45-19(4)39)31(5)12-11-21(43-17(2)37)13-20(31)14-25(28)44-18(3)38/h16,20-26,28H,7-15H2,1-6H3,(H2,33,41,42)(H,34,35,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The enzyme activities in the absence of drugs or chemicals were taken as 100%. For each drug or chemical, an activity%-(drug) graph was drawn and dr...				J Enzyme Inhib Med Chem 23: 418-23 (2008) Article DOI: 10.1080/14756360701546413 BindingDB Entry DOI: 10.7270/Q2F18XBP
					More data for this Ligand-Target Pair