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2 similar compounds to monomer 83218

Compile data set for download or QSAR
Wt: 294.3
BDBM50174
Wt: 280.2
BDBM76435

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50174,76435   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50174
PNG
(1-[(Z)-(2-methyl-3-indolylidene)methyl]-2-(4-nitro...)
Show SMILES Cc1[n-]c2ccccc2c1C[NH+]=Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H13N4O2/c1-11-15(14-4-2-3-5-16(14)18-11)10-17-19-12-6-8-13(9-7-12)20(21)22/h2-9H,10H2,1H3/q-1/p+1
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 400n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM76435
PNG
(1-[(Z)-3-indolylidenemethyl]-2-(2-nitrophenyl)hydr...)
Show SMILES [O-][N+](=O)c1ccccc1N=[NH+]Cc1c[n-]c2ccccc12
Show InChI InChI=1S/C15H11N4O2/c20-19(21)15-8-4-3-7-14(15)18-17-10-11-9-16-13-6-2-1-5-12(11)13/h1-9H,10H2/q-1/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

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 (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MS3R7H
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM76435
PNG
(1-[(Z)-3-indolylidenemethyl]-2-(2-nitrophenyl)hydr...)
Show SMILES [O-][N+](=O)c1ccccc1N=[NH+]Cc1c[n-]c2ccccc12
Show InChI InChI=1S/C15H11N4O2/c20-19(21)15-8-4-3-7-14(15)18-17-10-11-9-16-13-6-2-1-5-12(11)13/h1-9H,10H2/q-1/p+1
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

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 (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27H1H10
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM76435
PNG
(1-[(Z)-3-indolylidenemethyl]-2-(2-nitrophenyl)hydr...)
Show SMILES [O-][N+](=O)c1ccccc1N=[NH+]Cc1c[n-]c2ccccc12
Show InChI InChI=1S/C15H11N4O2/c20-19(21)15-8-4-3-7-14(15)18-17-10-11-9-16-13-6-2-1-5-12(11)13/h1-9H,10H2/q-1/p+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM76435
PNG
(1-[(Z)-3-indolylidenemethyl]-2-(2-nitrophenyl)hydr...)
Show SMILES [O-][N+](=O)c1ccccc1N=[NH+]Cc1c[n-]c2ccccc12
Show InChI InChI=1S/C15H11N4O2/c20-19(21)15-8-4-3-7-14(15)18-17-10-11-9-16-13-6-2-1-5-12(11)13/h1-9H,10H2/q-1/p+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.28E+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 (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GZT
More data for this
Ligand-Target Pair
TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex)


(Saccharomyces cerevisiae S288c)
BDBM76435
PNG
(1-[(Z)-3-indolylidenemethyl]-2-(2-nitrophenyl)hydr...)
Show SMILES [O-][N+](=O)c1ccccc1N=[NH+]Cc1c[n-]c2ccccc12
Show InChI InChI=1S/C15H11N4O2/c20-19(21)15-8-4-3-7-14(15)18-17-10-11-9-16-13-6-2-1-5-12(11)13/h1-9H,10H2/q-1/p+1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.57E+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(SBMRI, San Diego, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q26D5RGW
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM76435
PNG
(1-[(Z)-3-indolylidenemethyl]-2-(2-nitrophenyl)hydr...)
Show SMILES [O-][N+](=O)c1ccccc1N=[NH+]Cc1c[n-]c2ccccc12
Show InChI InChI=1S/C15H11N4O2/c20-19(21)15-8-4-3-7-14(15)18-17-10-11-9-16-13-6-2-1-5-12(11)13/h1-9H,10H2/q-1/p+1
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM76435
PNG
(1-[(Z)-3-indolylidenemethyl]-2-(2-nitrophenyl)hydr...)
Show SMILES [O-][N+](=O)c1ccccc1N=[NH+]Cc1c[n-]c2ccccc12
Show InChI InChI=1S/C15H11N4O2/c20-19(21)15-8-4-3-7-14(15)18-17-10-11-9-16-13-6-2-1-5-12(11)13/h1-9H,10H2/q-1/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.38E+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(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair