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BDBM68302 MLS-0399818.0001::[4-(2,3-dimethylphenyl)-1-piperazinyl]-[3-(4-morpholinylsulfonyl)phenyl]methanone::[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone::[4-(2,3-dimethylphenyl)piperazino]-(3-morpholinosulfonylphenyl)methanone::cid_3908738

SMILES: Cc1cccc(N2CCN(CC2)C(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)c1C

InChI Key: InChIKey=UVAFHMYGZBIABL-UHFFFAOYSA-N

Data: 3 IC50  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 5 hits for monomerid = 68302   
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
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM68302
PNG
(MLS-0399818.0001 | [4-(2,3-dimethylphenyl)-1-piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)c1C
Show InChI InChI=1S/C23H29N3O4S/c1-18-5-3-8-22(19(18)2)24-9-11-25(12-10-24)23(27)20-6-4-7-21(17-20)31(28,29)26-13-15-30-16-14-26/h3-8,17H,9-16H2,1-2H3
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n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CV4G56
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM68302
PNG
(MLS-0399818.0001 | [4-(2,3-dimethylphenyl)-1-piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)c1C
Show InChI InChI=1S/C23H29N3O4S/c1-18-5-3-8-22(19(18)2)24-9-11-25(12-10-24)23(27)20-6-4-7-21(17-20)31(28,29)26-13-15-30-16-14-26/h3-8,17H,9-16H2,1-2H3
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI) Network: NIH Molec...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2833QFS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM68302
PNG
(MLS-0399818.0001 | [4-(2,3-dimethylphenyl)-1-piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)c1C
Show InChI InChI=1S/C23H29N3O4S/c1-18-5-3-8-22(19(18)2)24-9-11-25(12-10-24)23(27)20-6-4-7-21(17-20)31(28,29)26-13-15-30-16-14-26/h3-8,17H,9-16H2,1-2H3
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n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2VX0F02
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM68302
PNG
(MLS-0399818.0001 | [4-(2,3-dimethylphenyl)-1-piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)c1C
Show InChI InChI=1S/C23H29N3O4S/c1-18-5-3-8-22(19(18)2)24-9-11-25(12-10-24)23(27)20-6-4-7-21(17-20)31(28,29)26-13-15-30-16-14-26/h3-8,17H,9-16H2,1-2H3
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Net...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20P0XGZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM68302
PNG
(MLS-0399818.0001 | [4-(2,3-dimethylphenyl)-1-piper...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)c1C
Show InChI InChI=1S/C23H29N3O4S/c1-18-5-3-8-22(19(18)2)24-9-11-25(12-10-24)23(27)20-6-4-7-21(17-20)31(28,29)26-13-15-30-16-14-26/h3-8,17H,9-16H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24B2ZRH
More data for this
Ligand-Target Pair