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BDBM57349 (3-Amino-6-isopropyl-thieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)-methanone::(3-amino-6-isopropyl-thieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone::(3-amino-6-propan-2-yl-2-thieno[2,3-b]quinolinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone::(3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone::(3-azanyl-6-propan-2-yl-thieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone::MLS000556129::SMR000173127::cid_1442685

SMILES: CC(C)c1ccc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2c1

InChI Key: InChIKey=TUDLYWRFLDZAFJ-UHFFFAOYSA-N

Data: 4 IC50  1 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 5 hits for monomerid = 57349   
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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM57349
PNG
((3-Amino-6-isopropyl-thieno[2,3-b]quinolin-2-yl)-(...)
Show SMILES CC(C)c1ccc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2c1
Show InChI InChI=1S/C24H23N3OS/c1-14(2)16-7-8-20-18(11-16)12-19-21(25)22(29-23(19)26-20)24(28)27-10-9-15-5-3-4-6-17(15)13-27/h3-8,11-12,14H,9-10,13,25H2,1-2H3
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MMDB

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n/an/an/an/a 1.01E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM57349
PNG
((3-Amino-6-isopropyl-thieno[2,3-b]quinolin-2-yl)-(...)
Show SMILES CC(C)c1ccc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2c1
Show InChI InChI=1S/C24H23N3OS/c1-14(2)16-7-8-20-18(11-16)12-19-21(25)22(29-23(19)26-20)24(28)27-10-9-15-5-3-4-6-17(15)13-27/h3-8,11-12,14H,9-10,13,25H2,1-2H3
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n/an/a 7.08E+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/Q2BZ64H1
More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM57349
PNG
((3-Amino-6-isopropyl-thieno[2,3-b]quinolin-2-yl)-(...)
Show SMILES CC(C)c1ccc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2c1
Show InChI InChI=1S/C24H23N3OS/c1-14(2)16-7-8-20-18(11-16)12-19-21(25)22(29-23(19)26-20)24(28)27-10-9-15-5-3-4-6-17(15)13-27/h3-8,11-12,14H,9-10,13,25H2,1-2H3
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n/an/a 2.58E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2MC8XNQ
More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM57349
PNG
((3-Amino-6-isopropyl-thieno[2,3-b]quinolin-2-yl)-(...)
Show SMILES CC(C)c1ccc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2c1
Show InChI InChI=1S/C24H23N3OS/c1-14(2)16-7-8-20-18(11-16)12-19-21(25)22(29-23(19)26-20)24(28)27-10-9-15-5-3-4-6-17(15)13-27/h3-8,11-12,14H,9-10,13,25H2,1-2H3
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n/an/a 5.22E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2R49PCF
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM57349
PNG
((3-Amino-6-isopropyl-thieno[2,3-b]quinolin-2-yl)-(...)
Show SMILES CC(C)c1ccc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2c1
Show InChI InChI=1S/C24H23N3OS/c1-14(2)16-7-8-20-18(11-16)12-19-21(25)22(29-23(19)26-20)24(28)27-10-9-15-5-3-4-6-17(15)13-27/h3-8,11-12,14H,9-10,13,25H2,1-2H3
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n/an/a 4.83E+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