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BDBM83190 (3Z)-3-(2-furanylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester::(3Z)-3-(2-furfurylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester::MLS002634234::SMR001544486::[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate::[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate::cid_44825359

SMILES: CN(CCC#N)C(=O)COC(=O)c1c2CC\C(=C\c3ccco3)c2nc2ccccc12

InChI Key: InChIKey=GXGGKRHOVUZRQG-PEZBUJJGSA-N

Data: 6 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 6 hits for monomerid = 83190   
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
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM83190
PNG
((3Z)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES CN(CCC#N)C(=O)COC(=O)c1c2CC\C(=C\c3ccco3)c2nc2ccccc12
Show InChI InChI=1S/C24H21N3O4/c1-27(12-5-11-25)21(28)15-31-24(29)22-18-7-2-3-8-20(18)26-23-16(9-10-19(22)23)14-17-6-4-13-30-17/h2-4,6-8,13-14H,5,9-10,12,15H2,1H3/b16-14-
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n/an/a 3.20E+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/Q2V986KM
More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM83190
PNG
((3Z)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES CN(CCC#N)C(=O)COC(=O)c1c2CC\C(=C\c3ccco3)c2nc2ccccc12
Show InChI InChI=1S/C24H21N3O4/c1-27(12-5-11-25)21(28)15-31-24(29)22-18-7-2-3-8-20(18)26-23-16(9-10-19(22)23)14-17-6-4-13-30-17/h2-4,6-8,13-14H,5,9-10,12,15H2,1H3/b16-14-
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n/an/a 1.80E+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
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM83190
PNG
((3Z)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES CN(CCC#N)C(=O)COC(=O)c1c2CC\C(=C\c3ccco3)c2nc2ccccc12
Show InChI InChI=1S/C24H21N3O4/c1-27(12-5-11-25)21(28)15-31-24(29)22-18-7-2-3-8-20(18)26-23-16(9-10-19(22)23)14-17-6-4-13-30-17/h2-4,6-8,13-14H,5,9-10,12,15H2,1H3/b16-14-
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n/an/a 2.56E+3n/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) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
TCRAV4S1


(Homo sapiens (Human))
BDBM83190
PNG
((3Z)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES CN(CCC#N)C(=O)COC(=O)c1c2CC\C(=C\c3ccco3)c2nc2ccccc12
Show InChI InChI=1S/C24H21N3O4/c1-27(12-5-11-25)21(28)15-31-24(29)22-18-7-2-3-8-20(18)26-23-16(9-10-19(22)23)14-17-6-4-13-30-17/h2-4,6-8,13-14H,5,9-10,12,15H2,1H3/b16-14-
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n/an/a>9.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2WQ02FK
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM83190
PNG
((3Z)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES CN(CCC#N)C(=O)COC(=O)c1c2CC\C(=C\c3ccco3)c2nc2ccccc12
Show InChI InChI=1S/C24H21N3O4/c1-27(12-5-11-25)21(28)15-31-24(29)22-18-7-2-3-8-20(18)26-23-16(9-10-19(22)23)14-17-6-4-13-30-17/h2-4,6-8,13-14H,5,9-10,12,15H2,1H3/b16-14-
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n/an/a 4.57E+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) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair
serum albumin precursor


(Bos taurus)
BDBM83190
PNG
((3Z)-3-(2-furanylmethylidene)-1,2-dihydrocyclopent...)
Show SMILES CN(CCC#N)C(=O)COC(=O)c1c2CC\C(=C\c3ccco3)c2nc2ccccc12
Show InChI InChI=1S/C24H21N3O4/c1-27(12-5-11-25)21(28)15-31-24(29)22-18-7-2-3-8-20(18)26-23-16(9-10-19(22)23)14-17-6-4-13-30-17/h2-4,6-8,13-14H,5,9-10,12,15H2,1H3/b16-14-
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n/an/a>9.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair