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BDBM61058 (E)-2-(benzenesulfonyl)-3-[5-(3,4-dichlorophenyl)-2-furanyl]-N-(3-pyridinylmethyl)-2-propenamide::(E)-2-(benzenesulfonyl)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide::(E)-2-Benzenesulfonyl-3-[5-(3,4-dichloro-phenyl)-furan-2-yl]-N-pyridin-3-ylmethyl-acrylamide::(E)-2-besyl-3-[5-(3,4-dichlorophenyl)-2-furyl]-N-(3-pyridylmethyl)acrylamide::(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)prop-2-enamide::MLS000588403::SMR000212196::cid_5516000

SMILES: Clc1ccc(cc1Cl)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1

InChI Key: InChIKey=RCFYSZPTSHODKC-ZVHZXABRSA-N

Data: 3 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 4 hits for monomerid = 61058   
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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61058
PNG
((E)-2-(benzenesulfonyl)-3-[5-(3,4-dichlorophenyl)-...)
Show SMILES Clc1ccc(cc1Cl)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
Show InChI InChI=1S/C25H18Cl2N2O4S/c26-21-10-8-18(13-22(21)27)23-11-9-19(33-23)14-24(34(31,32)20-6-2-1-3-7-20)25(30)29-16-17-5-4-12-28-15-17/h1-15H,16H2,(H,29,30)/b24-14+
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n/an/an/an/a 1.61E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM61058
PNG
((E)-2-(benzenesulfonyl)-3-[5-(3,4-dichlorophenyl)-...)
Show SMILES Clc1ccc(cc1Cl)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
Show InChI InChI=1S/C25H18Cl2N2O4S/c26-21-10-8-18(13-22(21)27)23-11-9-19(33-23)14-24(34(31,32)20-6-2-1-3-7-20)25(30)29-16-17-5-4-12-28-15-17/h1-15H,16H2,(H,29,30)/b24-14+
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n/an/a 4.34E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2T15278
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM61058
PNG
((E)-2-(benzenesulfonyl)-3-[5-(3,4-dichlorophenyl)-...)
Show SMILES Clc1ccc(cc1Cl)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
Show InChI InChI=1S/C25H18Cl2N2O4S/c26-21-10-8-18(13-22(21)27)23-11-9-19(33-23)14-24(34(31,32)20-6-2-1-3-7-20)25(30)29-16-17-5-4-12-28-15-17/h1-15H,16H2,(H,29,30)/b24-14+
PDB
MMDB

KEGG

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n/an/a 2.67E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2XS5T0R
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM61058
PNG
((E)-2-(benzenesulfonyl)-3-[5-(3,4-dichlorophenyl)-...)
Show SMILES Clc1ccc(cc1Cl)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
Show InChI InChI=1S/C25H18Cl2N2O4S/c26-21-10-8-18(13-22(21)27)23-11-9-19(33-23)14-24(34(31,32)20-6-2-1-3-7-20)25(30)29-16-17-5-4-12-28-15-17/h1-15H,16H2,(H,29,30)/b24-14+
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n/an/a>5.00E+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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair