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BDBM83264 6-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-9,10,10-trioxothioxanthene-1-carboxamide::6-(4-benzylpiperidino)-N-(2-furfuryl)-9,10,10-triketo-thioxanthene-1-carboxamide::MLS002472279::N-(2-furanylmethyl)-9,10,10-trioxo-6-[4-(phenylmethyl)-1-piperidinyl]-1-thioxanthenecarboxamide::N-(furan-2-ylmethyl)-9,10,10-tris(oxidanylidene)-6-[4-(phenylmethyl)piperidin-1-yl]thioxanthene-1-carboxamide::SMR001395430::cid_44144200

SMILES: O=C(NCc1ccco1)c1cccc2c1C(=O)c1ccc(cc1S2(=O)=O)N1CCC(Cc2ccccc2)CC1

InChI Key: InChIKey=WPNISZQFBNQRKM-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 = 83264   
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
Toll-like receptor 9


(Homo sapiens (Human))
BDBM83264
PNG
(6-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-9,...)
Show SMILES O=C(NCc1ccco1)c1cccc2c1C(=O)c1ccc(cc1S2(=O)=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C31H28N2O5S/c34-30-25-12-11-23(33-15-13-22(14-16-33)18-21-6-2-1-3-7-21)19-28(25)39(36,37)27-10-4-9-26(29(27)30)31(35)32-20-24-8-5-17-38-24/h1-12,17,19,22H,13-16,18,20H2,(H,32,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.17E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM83264
PNG
(6-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-9,...)
Show SMILES O=C(NCc1ccco1)c1cccc2c1C(=O)c1ccc(cc1S2(=O)=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C31H28N2O5S/c34-30-25-12-11-23(33-15-13-22(14-16-33)18-21-6-2-1-3-7-21)19-28(25)39(36,37)27-10-4-9-26(29(27)30)31(35)32-20-24-8-5-17-38-24/h1-12,17,19,22H,13-16,18,20H2,(H,32,35)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.40E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair