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BDBM90877 3-[(3-fluorobenzoyl)amino]-5-phenyl-2-thenoic acid::3-[(3-fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid::3-[(3-fluorophenyl)carbonylamino]-5-phenyl-thiophene-2-carboxylic acid::3-[[(3-fluorophenyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid::MLS001199048::SMR000563201::cid_16012569

SMILES: OC(=O)c1sc(cc1NC(=O)c1cccc(F)c1)-c1ccccc1

InChI Key: InChIKey=ISXDEBHXVDTKLY-UHFFFAOYSA-N

Data: 2 IC50  1 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 3 hits for monomerid = 90877   
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
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM90877
PNG
(3-[(3-fluorobenzoyl)amino]-5-phenyl-2-thenoic acid...)
Show SMILES OC(=O)c1sc(cc1NC(=O)c1cccc(F)c1)-c1ccccc1
Show InChI InChI=1S/C18H12FNO3S/c19-13-8-4-7-12(9-13)17(21)20-14-10-15(24-16(14)18(22)23)11-5-2-1-3-6-11/h1-10H,(H,20,21)(H,22,23)
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a>5.30E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
Homo sapiens huntingtin (HTT), mRNA


(Homo sapiens (Human))
BDBM90877
PNG
(3-[(3-fluorobenzoyl)amino]-5-phenyl-2-thenoic acid...)
Show SMILES OC(=O)c1sc(cc1NC(=O)c1cccc(F)c1)-c1ccccc1
Show InChI InChI=1S/C18H12FNO3S/c19-13-8-4-7-12(9-13)17(21)20-14-10-15(24-16(14)18(22)23)11-5-2-1-3-6-11/h1-10H,(H,20,21)(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 859n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2N58K09
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM90877
PNG
(3-[(3-fluorobenzoyl)amino]-5-phenyl-2-thenoic acid...)
Show SMILES OC(=O)c1sc(cc1NC(=O)c1cccc(F)c1)-c1ccccc1
Show InChI InChI=1S/C18H12FNO3S/c19-13-8-4-7-12(9-13)17(21)20-14-10-15(24-16(14)18(22)23)11-5-2-1-3-6-11/h1-10H,(H,20,21)(H,22,23)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.42E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZS3
More data for this
Ligand-Target Pair