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SMILES: Cc1ccc2occ(\C=N\NC(=O)[C@@H](N)Cc3ccccc3)c(=O)c2c1

InChI Key: InChIKey=LNGPGGKAHHLQGF-CBVHTYNASA-N

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 = 87320   
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 3


(Homo sapiens (Human))
BDBM87320
PNG
((2S)-2-amino-N-[(E)-(4-keto-6-methyl-chromen-3-yl)...)
Show SMILES Cc1ccc2occ(\C=N\NC(=O)[C@@H](N)Cc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C20H19N3O3/c1-13-7-8-18-16(9-13)19(24)15(12-26-18)11-22-23-20(25)17(21)10-14-5-3-2-4-6-14/h2-9,11-12,17H,10,21H2,1H3,(H,23,25)/b22-11+/t17-/m0/s1
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n/an/a 9.86E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Tegument protein VP16


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87320
PNG
((2S)-2-amino-N-[(E)-(4-keto-6-methyl-chromen-3-yl)...)
Show SMILES Cc1ccc2occ(\C=N\NC(=O)[C@@H](N)Cc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C20H19N3O3/c1-13-7-8-18-16(9-13)19(24)15(12-26-18)11-22-23-20(25)17(21)10-14-5-3-2-4-6-14/h2-9,11-12,17H,10,21H2,1H3,(H,23,25)/b22-11+/t17-/m0/s1
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n/an/a 9.66E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM87320
PNG
((2S)-2-amino-N-[(E)-(4-keto-6-methyl-chromen-3-yl)...)
Show SMILES Cc1ccc2occ(\C=N\NC(=O)[C@@H](N)Cc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C20H19N3O3/c1-13-7-8-18-16(9-13)19(24)15(12-26-18)11-22-23-20(25)17(21)10-14-5-3-2-4-6-14/h2-9,11-12,17H,10,21H2,1H3,(H,23,25)/b22-11+/t17-/m0/s1
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n/an/a 8.08E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2794387
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 3


(Homo sapiens (Human))
BDBM87320
PNG
((2S)-2-amino-N-[(E)-(4-keto-6-methyl-chromen-3-yl)...)
Show SMILES Cc1ccc2occ(\C=N\NC(=O)[C@@H](N)Cc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C20H19N3O3/c1-13-7-8-18-16(9-13)19(24)15(12-26-18)11-22-23-20(25)17(21)10-14-5-3-2-4-6-14/h2-9,11-12,17H,10,21H2,1H3,(H,23,25)/b22-11+/t17-/m0/s1
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n/an/a 6.90E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2C24V0K
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM87320
PNG
((2S)-2-amino-N-[(E)-(4-keto-6-methyl-chromen-3-yl)...)
Show SMILES Cc1ccc2occ(\C=N\NC(=O)[C@@H](N)Cc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C20H19N3O3/c1-13-7-8-18-16(9-13)19(24)15(12-26-18)11-22-23-20(25)17(21)10-14-5-3-2-4-6-14/h2-9,11-12,17H,10,21H2,1H3,(H,23,25)/b22-11+/t17-/m0/s1
PDB
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UniChem

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PCBioAssay
n/an/a 2.81E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair