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BDBM60279 2-bromobenzenecarbothioic acid S-(8-quinolinyl) ester::2-bromothiobenzoic acid S-(8-quinolyl) ester::MLS001174912::S-quinolin-8-yl 2-bromanylbenzenecarbothioate::S-quinolin-8-yl 2-bromobenzenecarbothioate::SMR000594785::cid_1266032

SMILES: Brc1ccccc1C(=O)Sc1cccc2cccnc12

InChI Key: InChIKey=SVAGCAFOMRRHDH-UHFFFAOYSA-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 = 60279   
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
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM60279
PNG
(2-bromobenzenecarbothioic acid S-(8-quinolinyl) es...)
Show SMILES Brc1ccccc1C(=O)Sc1cccc2cccnc12
Show InChI InChI=1S/C16H10BrNOS/c17-13-8-2-1-7-12(13)16(19)20-14-9-3-5-11-6-4-10-18-15(11)14/h1-10H
PDB

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UniChem
n/an/a 1.05E+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 (2009)


BindingDB Entry DOI: 10.7270/Q20C4T6J
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens)
BDBM60279
PNG
(2-bromobenzenecarbothioic acid S-(8-quinolinyl) es...)
Show SMILES Brc1ccccc1C(=O)Sc1cccc2cccnc12
Show InChI InChI=1S/C16H10BrNOS/c17-13-8-2-1-7-12(13)16(19)20-14-9-3-5-11-6-4-10-18-15(11)14/h1-10H
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UniChem
n/an/a>4.00E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM60279
PNG
(2-bromobenzenecarbothioic acid S-(8-quinolinyl) es...)
Show SMILES Brc1ccccc1C(=O)Sc1cccc2cccnc12
Show InChI InChI=1S/C16H10BrNOS/c17-13-8-2-1-7-12(13)16(19)20-14-9-3-5-11-6-4-10-18-15(11)14/h1-10H
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UniChem
n/an/a 6.65E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Thrombin


(Bos taurus (Bovine))
BDBM60279
PNG
(2-bromobenzenecarbothioic acid S-(8-quinolinyl) es...)
Show SMILES Brc1ccccc1C(=O)Sc1cccc2cccnc12
Show InChI InChI=1S/C16H10BrNOS/c17-13-8-2-1-7-12(13)16(19)20-14-9-3-5-11-6-4-10-18-15(11)14/h1-10H
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UniChem
n/an/a>1.00E+5n/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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM60279
PNG
(2-bromobenzenecarbothioic acid S-(8-quinolinyl) es...)
Show SMILES Brc1ccccc1C(=O)Sc1cccc2cccnc12
Show InChI InChI=1S/C16H10BrNOS/c17-13-8-2-1-7-12(13)16(19)20-14-9-3-5-11-6-4-10-18-15(11)14/h1-10H
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UniChem
n/an/a 3.51E+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/Q2CJ8BXT
More data for this
Ligand-Target Pair