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SMILES: Nc1c(sc2nc(Cc3ccccc3)cc(c12)C(F)(F)F)C(=O)Nc1ccccc1F

InChI Key: InChIKey=BLZICZKXDZKEKR-UHFFFAOYSA-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 4 hits for monomerid = 77356   
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
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM77356
PNG
(3-amino-6-benzyl-N-(2-fluorophenyl)-4-(trifluorome...)
Show SMILES Nc1c(sc2nc(Cc3ccccc3)cc(c12)C(F)(F)F)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C22H15F4N3OS/c23-15-8-4-5-9-16(15)29-20(30)19-18(27)17-14(22(24,25)26)11-13(28-21(17)31-19)10-12-6-2-1-3-7-12/h1-9,11H,10,27H2,(H,29,30)
UniProtKB/SwissProt

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PCBioAssay
n/an/an/an/a 1.90E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29885H0
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM77356
PNG
(3-amino-6-benzyl-N-(2-fluorophenyl)-4-(trifluorome...)
Show SMILES Nc1c(sc2nc(Cc3ccccc3)cc(c12)C(F)(F)F)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C22H15F4N3OS/c23-15-8-4-5-9-16(15)29-20(30)19-18(27)17-14(22(24,25)26)11-13(28-21(17)31-19)10-12-6-2-1-3-7-12/h1-9,11H,10,27H2,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/an/an/a>9.90E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2TB15DB
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM77356
PNG
(3-amino-6-benzyl-N-(2-fluorophenyl)-4-(trifluorome...)
Show SMILES Nc1c(sc2nc(Cc3ccccc3)cc(c12)C(F)(F)F)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C22H15F4N3OS/c23-15-8-4-5-9-16(15)29-20(30)19-18(27)17-14(22(24,25)26)11-13(28-21(17)31-19)10-12-6-2-1-3-7-12/h1-9,11H,10,27H2,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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n/an/an/an/a 1.74E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2Z31X54
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM77356
PNG
(3-amino-6-benzyl-N-(2-fluorophenyl)-4-(trifluorome...)
Show SMILES Nc1c(sc2nc(Cc3ccccc3)cc(c12)C(F)(F)F)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C22H15F4N3OS/c23-15-8-4-5-9-16(15)29-20(30)19-18(27)17-14(22(24,25)26)11-13(28-21(17)31-19)10-12-6-2-1-3-7-12/h1-9,11H,10,27H2,(H,29,30)
UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 2.71E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B856KG
More data for this
Ligand-Target Pair