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BDBM62409 3-[4-[(3-fluorophenyl)carbamoylamino]piperidino]sulfonylbenzoic acid methyl ester::3-[[4-[[(3-fluoroanilino)-oxomethyl]amino]-1-piperidinyl]sulfonyl]benzoic acid methyl ester::3-{4-[3-(3-Fluoro-phenyl)-ureido]-piperidine-1-sulfonyl}-benzoic acid methyl ester::MLS000034134::SMR000006741::cid_647747::methyl 3-[4-[(3-fluorophenyl)carbamoylamino]piperidin-1-yl]sulfonylbenzoate

SMILES: COC(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1cccc(F)c1

InChI Key: InChIKey=SPYBIHBKPZTFDA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 62409   
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
EBNA-1 protein


(Human herpesvirus 4)
BDBM62409
PNG
(3-[4-[(3-fluorophenyl)carbamoylamino]piperidino]su...)
Show SMILES COC(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C20H22FN3O5S/c1-29-19(25)14-4-2-7-18(12-14)30(27,28)24-10-8-16(9-11-24)22-20(26)23-17-6-3-5-15(21)13-17/h2-7,12-13,16H,8-11H2,1H3,(H2,22,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.09E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GXC
More data for this
Ligand-Target Pair
BZLF1


(Human herpesvirus 4)
BDBM62409
PNG
(3-[4-[(3-fluorophenyl)carbamoylamino]piperidino]su...)
Show SMILES COC(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C20H22FN3O5S/c1-29-19(25)14-4-2-7-18(12-14)30(27,28)24-10-8-16(9-11-24)22-20(26)23-17-6-3-5-15(21)13-17/h2-7,12-13,16H,8-11H2,1H3,(H2,22,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.11E+5n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957MN
More data for this
Ligand-Target Pair