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BDBM46361 2-cyclohexyl-1,3-bis(oxidanylidene)-N-pyridin-4-yl-isoindole-5-carboxamide::2-cyclohexyl-1,3-diketo-N-(4-pyridyl)isoindoline-5-carboxamide::2-cyclohexyl-1,3-dioxo-N-4-pyridinyl-5-isoindolinecarboxamide::2-cyclohexyl-1,3-dioxo-N-pyridin-4-yl-5-isoindolecarboxamide::2-cyclohexyl-1,3-dioxo-N-pyridin-4-ylisoindole-5-carboxamide::MLS000535216::SMR000142652::cid_890139

SMILES: O=C(Nc1ccncc1)c1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1

InChI Key: InChIKey=OOTAAKCXVVNNBK-UHFFFAOYSA-N

Data: 2 IC50  2 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 4 hits for monomerid = 46361   
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
STAT3


(Homo sapiens (Human))
BDBM46361
PNG
(2-cyclohexyl-1,3-bis(oxidanylidene)-N-pyridin-4-yl...)
Show SMILES O=C(Nc1ccncc1)c1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1
Show InChI InChI=1S/C20H19N3O3/c24-18(22-14-8-10-21-11-9-14)13-6-7-16-17(12-13)20(26)23(19(16)25)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,21,22,24)
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UniChem

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PCBioAssay
n/an/a 2.42E+3n/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 (2008)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM46361
PNG
(2-cyclohexyl-1,3-bis(oxidanylidene)-N-pyridin-4-yl...)
Show SMILES O=C(Nc1ccncc1)c1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1
Show InChI InChI=1S/C20H19N3O3/c24-18(22-14-8-10-21-11-9-14)13-6-7-16-17(12-13)20(26)23(19(16)25)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,21,22,24)
PDB

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KEGG

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UniChem

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PCBioAssay
n/an/an/an/a 3.54E+4n/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: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28P5XX5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM46361
PNG
(2-cyclohexyl-1,3-bis(oxidanylidene)-N-pyridin-4-yl...)
Show SMILES O=C(Nc1ccncc1)c1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1
Show InChI InChI=1S/C20H19N3O3/c24-18(22-14-8-10-21-11-9-14)13-6-7-16-17(12-13)20(26)23(19(16)25)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,21,22,24)
PDB

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n/an/an/an/a 3.54E+4n/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: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29P302B
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM46361
PNG
(2-cyclohexyl-1,3-bis(oxidanylidene)-N-pyridin-4-yl...)
Show SMILES O=C(Nc1ccncc1)c1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1
Show InChI InChI=1S/C20H19N3O3/c24-18(22-14-8-10-21-11-9-14)13-6-7-16-17(12-13)20(26)23(19(16)25)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,21,22,24)
PDB
MMDB

NCI pathway
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n/an/a>5.57E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2K935ZR
More data for this
Ligand-Target Pair