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1 similar compounds to monomer 160656

Wt: 437.8
BDBM43094
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 43094   
Target
(Institution)
LigandTarget
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 isoform 1


(Homo sapiens)
BDBM43094
PNG
(2-chloranyl-N-[3-cyano-1-(phenylmethyl)pyrrolo[3,2...)
Show SMILES Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccccc1
Show InChI InChI=1S/C25H16ClN5O/c26-19-11-5-4-10-17(19)25(32)30-23-18(14-27)22-24(29-21-13-7-6-12-20(21)28-22)31(23)15-16-8-2-1-3-9-16/h1-13H,15H2,(H,30,32)
PDB
MMDB

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n/an/an/an/a>7.94E+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)

More data for this
Ligand-Target Pair
NCOA2 protein


(Homo sapiens)
BDBM43094
PNG
(2-chloranyl-N-[3-cyano-1-(phenylmethyl)pyrrolo[3,2...)
Show SMILES Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccccc1
Show InChI InChI=1S/C25H16ClN5O/c26-19-11-5-4-10-17(19)25(32)30-23-18(14-27)22-24(29-21-13-7-6-12-20(21)28-22)31(23)15-16-8-2-1-3-9-16/h1-13H,15H2,(H,30,32)
KEGG

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n/an/an/an/a>2.65E+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)

More data for this
Ligand-Target Pair
SUMO-activating enzyme


(Homo sapiens (Human))
BDBM43094
PNG
(2-chloranyl-N-[3-cyano-1-(phenylmethyl)pyrrolo[3,2...)
Show SMILES Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccccc1
Show InChI InChI=1S/C25H16ClN5O/c26-19-11-5-4-10-17(19)25(32)30-23-18(14-27)22-24(29-21-13-7-6-12-20(21)28-22)31(23)15-16-8-2-1-3-9-16/h1-13H,15H2,(H,30,32)
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US Patent
n/an/a 2.50E+4n/an/an/an/an/an/a



City of Hope; Sanford-Burnham Medical Research Institute

US Patent


Assay Description
Through the Molecular Library Probe Production Center Network (MLPCN), at least 300,000 compounds were screened using a TR-FRET method, an ALPHASCREE...


US Patent US9045483 (2015)

More data for this
Ligand-Target Pair
Valosin-containing protein


(Homo sapiens (Human))
BDBM43094
PNG
(2-chloranyl-N-[3-cyano-1-(phenylmethyl)pyrrolo[3,2...)
Show SMILES Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccccc1
Show InChI InChI=1S/C25H16ClN5O/c26-19-11-5-4-10-17(19)25(32)30-23-18(14-27)22-24(29-21-13-7-6-12-20(21)28-22)31(23)15-16-8-2-1-3-9-16/h1-13H,15H2,(H,30,32)
PDB

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n/an/a>5.00E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Valosin-containing protein


(Homo sapiens (Human))
BDBM43094
PNG
(2-chloranyl-N-[3-cyano-1-(phenylmethyl)pyrrolo[3,2...)
Show SMILES Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccccc1
Show InChI InChI=1S/C25H16ClN5O/c26-19-11-5-4-10-17(19)25(32)30-23-18(14-27)22-24(29-21-13-7-6-12-20(21)28-22)31(23)15-16-8-2-1-3-9-16/h1-13H,15H2,(H,30,32)
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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PCBioAssay
n/an/a>5.00E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens)
BDBM43094
PNG
(2-chloranyl-N-[3-cyano-1-(phenylmethyl)pyrrolo[3,2...)
Show SMILES Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccccc1
Show InChI InChI=1S/C25H16ClN5O/c26-19-11-5-4-10-17(19)25(32)30-23-18(14-27)22-24(29-21-13-7-6-12-20(21)28-22)31(23)15-16-8-2-1-3-9-16/h1-13H,15H2,(H,30,32)
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PCBioAssay
n/an/an/an/a 9.38E+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 http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair