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BDBM83912 4-Nitro-benzoic acid N'-(3-1,2,3,4-tetrahydro-carbazol-9-yl-propionyl)-hydrazide::4-nitro-N'-[1-oxo-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]benzohydrazide::4-nitro-N'-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoyl]benzohydrazide::MLS000590906::SMR000217641::cid_3424737

SMILES: [O-][N+](=O)c1ccc(cc1)C(=O)NNC(=O)CCn1c2CCCCc2c2ccccc12

InChI Key: InChIKey=CCSNJERMAQFWPG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 83912   
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
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM83912
PNG
(4-Nitro-benzoic acid N'-(3-1,2,3,4-tetrahydro-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NNC(=O)CCn1c2CCCCc2c2ccccc12
Show InChI InChI=1S/C22H22N4O4/c27-21(23-24-22(28)15-9-11-16(12-10-15)26(29)30)13-14-25-19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1,3,5,7,9-12H,2,4,6,8,13-14H2,(H,23,27)(H,24,28)
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PC cid
PC sid
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PCBioAssay
n/an/a 1.80E+3n/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
Caspase-9


(Homo sapiens (Human))
BDBM83912
PNG
(4-Nitro-benzoic acid N'-(3-1,2,3,4-tetrahydro-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NNC(=O)CCn1c2CCCCc2c2ccccc12
Show InChI InChI=1S/C22H22N4O4/c27-21(23-24-22(28)15-9-11-16(12-10-15)26(29)30)13-14-25-19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1,3,5,7,9-12H,2,4,6,8,13-14H2,(H,23,27)(H,24,28)
PDB
MMDB

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PCBioAssay
n/an/a 728n/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))
BDBM83912
PNG
(4-Nitro-benzoic acid N'-(3-1,2,3,4-tetrahydro-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NNC(=O)CCn1c2CCCCc2c2ccccc12
Show InChI InChI=1S/C22H22N4O4/c27-21(23-24-22(28)15-9-11-16(12-10-15)26(29)30)13-14-25-19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1,3,5,7,9-12H,2,4,6,8,13-14H2,(H,23,27)(H,24,28)
PDB
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Reactome pathway
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>1.00E+5n/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/Q2F18X8S
More data for this
Ligand-Target Pair