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BDBM29685 (3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-(cyclopentylamino)-2-oxoethyl] ester::(3E)-3-(2-furfurylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-(cyclopentylamino)-2-keto-ethyl] ester::MLS000333913::SMR000248671::[2-(cyclopentylamino)-2-oxidanylidene-ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate::[2-(cyclopentylamino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate::cid_6092126

SMILES: O=C(COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12)NC1CCCC1

InChI Key: InChIKey=HJLVADIYJRSVIR-JQIJEIRASA-N

Data: 9 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 9 hits for monomerid = 29685   
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)
BDBM29685
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES O=C(COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12)NC1CCCC1
Show InChI InChI=1S/C25H24N2O4/c28-22(26-17-6-1-2-7-17)15-31-25(29)23-19-9-3-4-10-21(19)27-24-16(11-12-20(23)24)14-18-8-5-13-30-18/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H,26,28)/b16-14+
PDB
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NCI pathway
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

Similars

n/an/a 1.04E+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
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29685
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES O=C(COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12)NC1CCCC1
Show InChI InChI=1S/C25H24N2O4/c28-22(26-17-6-1-2-7-17)15-31-25(29)23-19-9-3-4-10-21(19)27-24-16(11-12-20(23)24)14-18-8-5-13-30-18/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H,26,28)/b16-14+
PDB
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KEGG

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UniChem

Similars

n/an/a 1.04E+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
BZLF2


(Human herpesvirus 4 type 2)
BDBM29685
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES O=C(COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12)NC1CCCC1
Show InChI InChI=1S/C25H24N2O4/c28-22(26-17-6-1-2-7-17)15-31-25(29)23-19-9-3-4-10-21(19)27-24-16(11-12-20(23)24)14-18-8-5-13-30-18/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H,26,28)/b16-14+
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UniChem

Similars

n/an/a 6.94E+3n/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: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM29685
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES O=C(COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12)NC1CCCC1
Show InChI InChI=1S/C25H24N2O4/c28-22(26-17-6-1-2-7-17)15-31-25(29)23-19-9-3-4-10-21(19)27-24-16(11-12-20(23)24)14-18-8-5-13-30-18/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H,26,28)/b16-14+
PDB
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UniChem

Similars

n/an/a 6.50E+3n/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
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM29685
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES O=C(COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12)NC1CCCC1
Show InChI InChI=1S/C25H24N2O4/c28-22(26-17-6-1-2-7-17)15-31-25(29)23-19-9-3-4-10-21(19)27-24-16(11-12-20(23)24)14-18-8-5-13-30-18/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H,26,28)/b16-14+
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n/an/a 1.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BV7F7H
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM29685
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES O=C(COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12)NC1CCCC1
Show InChI InChI=1S/C25H24N2O4/c28-22(26-17-6-1-2-7-17)15-31-25(29)23-19-9-3-4-10-21(19)27-24-16(11-12-20(23)24)14-18-8-5-13-30-18/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H,26,28)/b16-14+
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n/an/a 1.26E+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
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM29685
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES O=C(COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12)NC1CCCC1
Show InChI InChI=1S/C25H24N2O4/c28-22(26-17-6-1-2-7-17)15-31-25(29)23-19-9-3-4-10-21(19)27-24-16(11-12-20(23)24)14-18-8-5-13-30-18/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H,26,28)/b16-14+
UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem

Similars

n/an/a 9.12E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM29685
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES O=C(COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12)NC1CCCC1
Show InChI InChI=1S/C25H24N2O4/c28-22(26-17-6-1-2-7-17)15-31-25(29)23-19-9-3-4-10-21(19)27-24-16(11-12-20(23)24)14-18-8-5-13-30-18/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H,26,28)/b16-14+
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UniChem

Similars

n/an/a 3.75E+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 (2010)


BindingDB Entry DOI: 10.7270/Q21V5CDC
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM29685
PNG
((3E)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES O=C(COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12)NC1CCCC1
Show InChI InChI=1S/C25H24N2O4/c28-22(26-17-6-1-2-7-17)15-31-25(29)23-19-9-3-4-10-21(19)27-24-16(11-12-20(23)24)14-18-8-5-13-30-18/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H,26,28)/b16-14+
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

Similars

n/an/a 5.81E+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 (2009)


BindingDB Entry DOI: 10.7270/Q20P0XFH
More data for this
Ligand-Target Pair