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BDBM75497 MLS000684512::N-(2-chloro-4-{[(propionylamino)carbonothioyl]amino}phenyl)-2-furamide::N-[2-chloranyl-4-(propanoylcarbamothioylamino)phenyl]furan-2-carboxamide::N-[2-chloro-4-(propanoylcarbamothioylamino)phenyl]furan-2-carboxamide::N-[2-chloro-4-(propionylthiocarbamoylamino)phenyl]-2-furamide::N-[2-chloro-4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide::SMR000269696::cid_1345009

SMILES: CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1

InChI Key: InChIKey=ACPMLJLQLGEKHV-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 75497   
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
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM75497
PNG
(MLS000684512 | N-(2-chloro-4-{[(propionylamino)car...)
Show SMILES CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1
Show InChI InChI=1S/C15H14ClN3O3S/c1-2-13(20)19-15(23)17-9-5-6-11(10(16)8-9)18-14(21)12-4-3-7-22-12/h3-8H,2H2,1H3,(H,18,21)(H2,17,19,20,23)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 4.47E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2K93612
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM75497
PNG
(MLS000684512 | N-(2-chloro-4-{[(propionylamino)car...)
Show SMILES CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1
Show InChI InChI=1S/C15H14ClN3O3S/c1-2-13(20)19-15(23)17-9-5-6-11(10(16)8-9)18-14(21)12-4-3-7-22-12/h3-8H,2H2,1H3,(H,18,21)(H2,17,19,20,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.16E+5n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2Q23XQJ
More data for this
Ligand-Target Pair