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BDBM29684 (3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester::(3E)-3-(2-furfurylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester::MLS000336228::SMR000253782::[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate::[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate::cid_5860596

SMILES: CC1CCCCC1NC(=O)COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12

InChI Key: InChIKey=FXSYYMGBMPXVBO-OBGWFSINSA-N

Data: 5 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 5 hits for monomerid = 29684   
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
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29684
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES CC1CCCCC1NC(=O)COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12
Show InChI InChI=1S/C27H28N2O4/c1-17-7-2-4-10-22(17)28-24(30)16-33-27(31)25-20-9-3-5-11-23(20)29-26-18(12-13-21(25)26)15-19-8-6-14-32-19/h3,5-6,8-9,11,14-15,17,22H,2,4,7,10,12-13,16H2,1H3,(H,28,30)/b18-15+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.06E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to use HTS to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC, a potential thera...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DV1H7P
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29684
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES CC1CCCCC1NC(=O)COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12
Show InChI InChI=1S/C27H28N2O4/c1-17-7-2-4-10-22(17)28-24(30)16-33-27(31)25-20-9-3-5-11-23(20)29-26-18(12-13-21(25)26)15-19-8-6-14-32-19/h3,5-6,8-9,11,14-15,17,22H,2,4,7,10,12-13,16H2,1H3,(H,28,30)/b18-15+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.06E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens)
BDBM29684
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES CC1CCCCC1NC(=O)COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12
Show InChI InChI=1S/C27H28N2O4/c1-17-7-2-4-10-22(17)28-24(30)16-33-27(31)25-20-9-3-5-11-23(20)29-26-18(12-13-21(25)26)15-19-8-6-14-32-19/h3,5-6,8-9,11,14-15,17,22H,2,4,7,10,12-13,16H2,1H3,(H,28,30)/b18-15+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.44E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM29684
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES CC1CCCCC1NC(=O)COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12
Show InChI InChI=1S/C27H28N2O4/c1-17-7-2-4-10-22(17)28-24(30)16-33-27(31)25-20-9-3-5-11-23(20)29-26-18(12-13-21(25)26)15-19-8-6-14-32-19/h3,5-6,8-9,11,14-15,17,22H,2,4,7,10,12-13,16H2,1H3,(H,28,30)/b18-15+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 8.31E+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 (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM29684
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES CC1CCCCC1NC(=O)COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12
Show InChI InChI=1S/C27H28N2O4/c1-17-7-2-4-10-22(17)28-24(30)16-33-27(31)25-20-9-3-5-11-23(20)29-26-18(12-13-21(25)26)15-19-8-6-14-32-19/h3,5-6,8-9,11,14-15,17,22H,2,4,7,10,12-13,16H2,1H3,(H,28,30)/b18-15+
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.11E+4n/an/an/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair