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SMILES: COc1ccc(cc1)-c1cc(-c2cccs2)c(C#N)c(SCC(=O)NCc2ccccc2OC)n1

InChI Key: InChIKey=RAQWYGYEGUADAI-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 43010   
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
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM43010
PNG
(2-[3-Cyano-6-(4-methoxy-phenyl)-4-thiophen-2-yl-py...)
Show SMILES COc1ccc(cc1)-c1cc(-c2cccs2)c(C#N)c(SCC(=O)NCc2ccccc2OC)n1
Show InChI InChI=1S/C27H23N3O3S2/c1-32-20-11-9-18(10-12-20)23-14-21(25-8-5-13-34-25)22(15-28)27(30-23)35-17-26(31)29-16-19-6-3-4-7-24(19)33-2/h3-14H,16-17H2,1-2H3,(H,29,31)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.03E+4n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))
BDBM43010
PNG
(2-[3-Cyano-6-(4-methoxy-phenyl)-4-thiophen-2-yl-py...)
Show SMILES COc1ccc(cc1)-c1cc(-c2cccs2)c(C#N)c(SCC(=O)NCc2ccccc2OC)n1
Show InChI InChI=1S/C27H23N3O3S2/c1-32-20-11-9-18(10-12-20)23-14-21(25-8-5-13-34-25)22(15-28)27(30-23)35-17-26(31)29-16-19-6-3-4-7-24(19)33-2/h3-14H,16-17H2,1-2H3,(H,29,31)
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PCBioAssay
n/an/an/an/a 8.22E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 3


(Homo sapiens (Human))
BDBM43010
PNG
(2-[3-Cyano-6-(4-methoxy-phenyl)-4-thiophen-2-yl-py...)
Show SMILES COc1ccc(cc1)-c1cc(-c2cccs2)c(C#N)c(SCC(=O)NCc2ccccc2OC)n1
Show InChI InChI=1S/C27H23N3O3S2/c1-32-20-11-9-18(10-12-20)23-14-21(25-8-5-13-34-25)22(15-28)27(30-23)35-17-26(31)29-16-19-6-3-4-7-24(19)33-2/h3-14H,16-17H2,1-2H3,(H,29,31)
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antibodypedia
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UniChem

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PCBioAssay
n/an/an/an/a 1.30E+4n/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 http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair