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BDBM67072 2-[4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenoxy]-N-(4-hydroxycyclohexyl)acetamide::2-[4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenoxy]-N-(4-oxidanylcyclohexyl)ethanamide::2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-hydroxycyclohexyl)acetamide::MLS002248534::SMR001315997::cid_2373156

SMILES: CN(c1ccc(OCC(=O)NC2CCC(O)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=GTVIWHFYZOVQJE-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 67072   
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
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM67072
PNG
(2-[4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenox...)
Show SMILES CN(c1ccc(OCC(=O)NC2CCC(O)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 |(5.75,6.78,;7.08,6.01,;7.08,4.47,;8.41,3.7,;8.41,2.16,;7.08,1.39,;7.08,-.15,;5.75,-.92,;5.75,-2.46,;7.08,-3.23,;4.41,-3.23,;4.41,-4.77,;5.75,-5.54,;5.75,-7.08,;4.41,-7.85,;4.41,-9.39,;3.08,-7.08,;3.08,-5.54,;5.75,2.16,;5.75,3.7,;8.41,6.78,;7.64,8.12,;9.18,5.45,;9.75,7.55,;11.08,6.78,;12.42,7.55,;12.42,9.09,;13.75,9.86,;11.08,9.86,;9.75,9.09,)|
Show InChI InChI=1S/C21H25ClN2O5S/c1-24(30(27,28)20-12-2-15(22)3-13-20)17-6-10-19(11-7-17)29-14-21(26)23-16-4-8-18(25)9-5-16/h2-3,6-7,10-13,16,18,25H,4-5,8-9,14H2,1H3,(H,23,26)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair