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BDBM32271 3-amino-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide::MLS000099222::SMR000073423::cid_893110

SMILES: NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N

InChI Key: InChIKey=RNEZSVRJTNFNAK-UHFFFAOYSA-N

Data: 6 IC50  2 EC50

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 8 hits for monomerid = 32271   
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
Apoptosis Regulator Bcl-xL


(Homo sapiens)
BDBM32271
PNG
(3-amino-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]th...)
Show SMILES NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N
Show InChI InChI=1S/C15H13N3O2S/c16-12-11-10(9-5-2-6-20-9)7-3-1-4-8(7)18-15(11)21-13(12)14(17)19/h2,5-6H,1,3-4,16H2,(H2,17,19)
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n/an/an/an/a 3.43E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM32271
PNG
(3-amino-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]th...)
Show SMILES NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N
Show InChI InChI=1S/C15H13N3O2S/c16-12-11-10(9-5-2-6-20-9)7-3-1-4-8(7)18-15(11)21-13(12)14(17)19/h2,5-6H,1,3-4,16H2,(H2,17,19)
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n/an/a 1.19E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM32271
PNG
(3-amino-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]th...)
Show SMILES NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N
Show InChI InChI=1S/C15H13N3O2S/c16-12-11-10(9-5-2-6-20-9)7-3-1-4-8(7)18-15(11)21-13(12)14(17)19/h2,5-6H,1,3-4,16H2,(H2,17,19)
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n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens)
BDBM32271
PNG
(3-amino-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]th...)
Show SMILES NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N
Show InChI InChI=1S/C15H13N3O2S/c16-12-11-10(9-5-2-6-20-9)7-3-1-4-8(7)18-15(11)21-13(12)14(17)19/h2,5-6H,1,3-4,16H2,(H2,17,19)
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n/an/a 1.12E+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: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM32271
PNG
(3-amino-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]th...)
Show SMILES NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N
Show InChI InChI=1S/C15H13N3O2S/c16-12-11-10(9-5-2-6-20-9)7-3-1-4-8(7)18-15(11)21-13(12)14(17)19/h2,5-6H,1,3-4,16H2,(H2,17,19)
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n/an/a 1.02E+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: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM32271
PNG
(3-amino-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]th...)
Show SMILES NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N
Show InChI InChI=1S/C15H13N3O2S/c16-12-11-10(9-5-2-6-20-9)7-3-1-4-8(7)18-15(11)21-13(12)14(17)19/h2,5-6H,1,3-4,16H2,(H2,17,19)
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n/an/a 3.10E+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: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM32271
PNG
(3-amino-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]th...)
Show SMILES NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N
Show InChI InChI=1S/C15H13N3O2S/c16-12-11-10(9-5-2-6-20-9)7-3-1-4-8(7)18-15(11)21-13(12)14(17)19/h2,5-6H,1,3-4,16H2,(H2,17,19)
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n/an/a 3.29E+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: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens)
BDBM32271
PNG
(3-amino-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[b]th...)
Show SMILES NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N
Show InChI InChI=1S/C15H13N3O2S/c16-12-11-10(9-5-2-6-20-9)7-3-1-4-8(7)18-15(11)21-13(12)14(17)19/h2,5-6H,1,3-4,16H2,(H2,17,19)
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n/an/an/an/a 4.34E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M61HPT
More data for this
Ligand-Target Pair