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BDBM41094 1-(9H-fluoren-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone::1-(9H-fluoren-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone::1-(9H-fluoren-2-yl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]ethanone::MLS000572961::SMR000195269::cid_1339742

SMILES: Cn1c(SCC(=O)c2ccc-3c(Cc4ccccc-34)c2)nnc1-c1ccccc1

InChI Key: InChIKey=DGWJRFDRDKSZPH-UHFFFAOYSA-N

Data: 4 IC50

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 = 41094   
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM41094
PNG
(1-(9H-fluoren-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-tr...)
Show SMILES Cn1c(SCC(=O)c2ccc-3c(Cc4ccccc-34)c2)nnc1-c1ccccc1
Show InChI InChI=1S/C24H19N3OS/c1-27-23(16-7-3-2-4-8-16)25-26-24(27)29-15-22(28)18-11-12-21-19(14-18)13-17-9-5-6-10-20(17)21/h2-12,14H,13,15H2,1H3
PDB
MMDB

NCI pathway
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KEGG

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PC sid
UniChem
PCBioAssay
n/an/a 3.19E+3n/an/an/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 Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM41094
PNG
(1-(9H-fluoren-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-tr...)
Show SMILES Cn1c(SCC(=O)c2ccc-3c(Cc4ccccc-34)c2)nnc1-c1ccccc1
Show InChI InChI=1S/C24H19N3OS/c1-27-23(16-7-3-2-4-8-16)25-26-24(27)29-15-22(28)18-11-12-21-19(14-18)13-17-9-5-6-10-20(17)21/h2-12,14H,13,15H2,1H3
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UniChem
PCBioAssay
n/an/a 3.82E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BK19S0
More data for this
Ligand-Target Pair
nuclear receptor corepressor 2 isoform 2


(Homo sapiens (Human))
BDBM41094
PNG
(1-(9H-fluoren-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-tr...)
Show SMILES Cn1c(SCC(=O)c2ccc-3c(Cc4ccccc-34)c2)nnc1-c1ccccc1
Show InChI InChI=1S/C24H19N3OS/c1-27-23(16-7-3-2-4-8-16)25-26-24(27)29-15-22(28)18-11-12-21-19(14-18)13-17-9-5-6-10-20(17)21/h2-12,14H,13,15H2,1H3
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UniChem
PCBioAssay
n/an/a 4.12E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26T0K34
More data for this
Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM41094
PNG
(1-(9H-fluoren-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-tr...)
Show SMILES Cn1c(SCC(=O)c2ccc-3c(Cc4ccccc-34)c2)nnc1-c1ccccc1
Show InChI InChI=1S/C24H19N3OS/c1-27-23(16-7-3-2-4-8-16)25-26-24(27)29-15-22(28)18-11-12-21-19(14-18)13-17-9-5-6-10-20(17)21/h2-12,14H,13,15H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>2.57E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair