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1 similar compounds to monomer 58982

Compile data set for download or QSAR
Wt: 436.5
BDBM54807

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 54807   
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))
BDBM54807
PNG
(4-(2,5-dimethoxyphenyl)-N-[(Z)-3-indolylidenemethy...)
Show SMILES COCCN=c1scc(-c2cc(OC)ccc2OC)n1N=Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H24N4O3S/c1-28-11-10-24-23-27(26-14-16-13-25-20-7-5-4-6-18(16)20)21(15-31-23)19-12-17(29-2)8-9-22(19)30-3/h4-9,12-15,25H,10-11H2,1-3H3
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n/an/a 3.86E+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/Q2765CR5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54807
PNG
(4-(2,5-dimethoxyphenyl)-N-[(Z)-3-indolylidenemethy...)
Show SMILES COCCN=c1scc(-c2cc(OC)ccc2OC)n1N=Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H24N4O3S/c1-28-11-10-24-23-27(26-14-16-13-25-20-7-5-4-6-18(16)20)21(15-31-23)19-12-17(29-2)8-9-22(19)30-3/h4-9,12-15,25H,10-11H2,1-3H3
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n/an/a 9.65E+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, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20C4T6J
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM54807
PNG
(4-(2,5-dimethoxyphenyl)-N-[(Z)-3-indolylidenemethy...)
Show SMILES COCCN=c1scc(-c2cc(OC)ccc2OC)n1N=Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H24N4O3S/c1-28-11-10-24-23-27(26-14-16-13-25-20-7-5-4-6-18(16)20)21(15-31-23)19-12-17(29-2)8-9-22(19)30-3/h4-9,12-15,25H,10-11H2,1-3H3
PDB
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n/an/a 6.95E+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: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q21J98DJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM54807
PNG
(4-(2,5-dimethoxyphenyl)-N-[(Z)-3-indolylidenemethy...)
Show SMILES COCCN=c1scc(-c2cc(OC)ccc2OC)n1N=Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H24N4O3S/c1-28-11-10-24-23-27(26-14-16-13-25-20-7-5-4-6-18(16)20)21(15-31-23)19-12-17(29-2)8-9-22(19)30-3/h4-9,12-15,25H,10-11H2,1-3H3
PDB
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n/an/a 6.95E+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: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DV1HJQ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM54807
PNG
(4-(2,5-dimethoxyphenyl)-N-[(Z)-3-indolylidenemethy...)
Show SMILES COCCN=c1scc(-c2cc(OC)ccc2OC)n1N=Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H24N4O3S/c1-28-11-10-24-23-27(26-14-16-13-25-20-7-5-4-6-18(16)20)21(15-31-23)19-12-17(29-2)8-9-22(19)30-3/h4-9,12-15,25H,10-11H2,1-3H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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n/an/a 6.95E+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: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM54807
PNG
(4-(2,5-dimethoxyphenyl)-N-[(Z)-3-indolylidenemethy...)
Show SMILES COCCN=c1scc(-c2cc(OC)ccc2OC)n1N=Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C23H24N4O3S/c1-28-11-10-24-23-27(26-14-16-13-25-20-7-5-4-6-18(16)20)21(15-31-23)19-12-17(29-2)8-9-22(19)30-3/h4-9,12-15,25H,10-11H2,1-3H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.95E+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: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2930RT9
More data for this
Ligand-Target Pair