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BDBM83266 6-(4-benzylpiperidin-1-yl)-N-cyclohexyl-9,10,10-trioxothioxanthene-1-carboxamide::6-(4-benzylpiperidino)-N-cyclohexyl-9,10,10-triketo-thioxanthene-1-carboxamide::MLS002472304::N-cyclohexyl-9,10,10-trioxo-6-[4-(phenylmethyl)-1-piperidinyl]-1-thioxanthenecarboxamide::N-cyclohexyl-9,10,10-tris(oxidanylidene)-6-[4-(phenylmethyl)piperidin-1-yl]thioxanthene-1-carboxamide::SMR001395455::cid_44144221

SMILES: O=C(NC1CCCCC1)c1cccc2c1C(=O)c1ccc(cc1S2(=O)=O)N1CCC(Cc2ccccc2)CC1

InChI Key: InChIKey=CBUXTJILXKPBDH-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 = 83266   
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
Beta lactamase


(Pseudomonas aeruginosa)
BDBM83266
PNG
(6-(4-benzylpiperidin-1-yl)-N-cyclohexyl-9,10,10-tr...)
Show SMILES O=C(NC1CCCCC1)c1cccc2c1C(=O)c1ccc(cc1S2(=O)=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C32H34N2O4S/c35-31-26-15-14-25(34-18-16-23(17-19-34)20-22-8-3-1-4-9-22)21-29(26)39(37,38)28-13-7-12-27(30(28)31)32(36)33-24-10-5-2-6-11-24/h1,3-4,7-9,12-15,21,23-24H,2,5-6,10-11,16-20H2,(H,33,36)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.88E+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
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM83266
PNG
(6-(4-benzylpiperidin-1-yl)-N-cyclohexyl-9,10,10-tr...)
Show SMILES O=C(NC1CCCCC1)c1cccc2c1C(=O)c1ccc(cc1S2(=O)=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C32H34N2O4S/c35-31-26-15-14-25(34-18-16-23(17-19-34)20-22-8-3-1-4-9-22)21-29(26)39(37,38)28-13-7-12-27(30(28)31)32(36)33-24-10-5-2-6-11-24/h1,3-4,7-9,12-15,21,23-24H,2,5-6,10-11,16-20H2,(H,33,36)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.47E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM83266
PNG
(6-(4-benzylpiperidin-1-yl)-N-cyclohexyl-9,10,10-tr...)
Show SMILES O=C(NC1CCCCC1)c1cccc2c1C(=O)c1ccc(cc1S2(=O)=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C32H34N2O4S/c35-31-26-15-14-25(34-18-16-23(17-19-34)20-22-8-3-1-4-9-22)21-29(26)39(37,38)28-13-7-12-27(30(28)31)32(36)33-24-10-5-2-6-11-24/h1,3-4,7-9,12-15,21,23-24H,2,5-6,10-11,16-20H2,(H,33,36)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.47E+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