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BDBM71433 (NE)-2,5-dimethyl-N-[4-oxidanylidene-3-(phenylsulfonylamino)naphthalen-1-ylidene]benzenesulfonamide::(NE)-N-[3-(benzenesulfonamido)-4-keto-1-naphthylidene]-2,5-dimethyl-benzenesulfonamide::(NE)-N-[3-(benzenesulfonamido)-4-oxo-1-naphthalenylidene]-2,5-dimethylbenzenesulfonamide::(NE)-N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-2,5-dimethylbenzenesulfonamide::MLS000948070::SMR000620238::cid_24789788

SMILES: Cc1ccc(C)c(c1)S(=O)(=O)\N=C1/C=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12

InChI Key: InChIKey=BMOQFLLXUWAROU-NJNXFGOHSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 71433   
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
Caspase-9


(Homo sapiens (Human))
BDBM71433
PNG
((NE)-2,5-dimethyl-N-[4-oxidanylidene-3-(phenylsulf...)
Show SMILES Cc1ccc(C)c(c1)S(=O)(=O)\N=C1/C=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:14|
Show InChI InChI=1S/C24H20N2O5S2/c1-16-12-13-17(2)23(14-16)33(30,31)25-21-15-22(24(27)20-11-7-6-10-19(20)21)26-32(28,29)18-8-4-3-5-9-18/h3-15,26H,1-2H3/b25-21+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.16E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM71433
PNG
((NE)-2,5-dimethyl-N-[4-oxidanylidene-3-(phenylsulf...)
Show SMILES Cc1ccc(C)c(c1)S(=O)(=O)\N=C1/C=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:14|
Show InChI InChI=1S/C24H20N2O5S2/c1-16-12-13-17(2)23(14-16)33(30,31)25-21-15-22(24(27)20-11-7-6-10-19(20)21)26-32(28,29)18-8-4-3-5-9-18/h3-15,26H,1-2H3/b25-21+
PDB
MMDB

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM71433
PNG
((NE)-2,5-dimethyl-N-[4-oxidanylidene-3-(phenylsulf...)
Show SMILES Cc1ccc(C)c(c1)S(=O)(=O)\N=C1/C=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:14|
Show InChI InChI=1S/C24H20N2O5S2/c1-16-12-13-17(2)23(14-16)33(30,31)25-21-15-22(24(27)20-11-7-6-10-19(20)21)26-32(28,29)18-8-4-3-5-9-18/h3-15,26H,1-2H3/b25-21+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB447H
More data for this
Ligand-Target Pair