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BDBM68306 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-N,N-dimethyl-4-pyrrolidin-1-yl-benzenesulfonamide::3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-N,N-dimethyl-4-pyrrolidino-benzenesulfonamide::3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide::3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-N,N-dimethyl-4-(1-pyrrolidinyl)benzenesulfonamide::MLS-0435532.0001::cid_16262621

SMILES: CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cc(Cl)ccc1C

InChI Key: InChIKey=HHCJFOCCKUSTFY-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 = 68306   
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))
BDBM68306
PNG
(3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]c...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cc(Cl)ccc1C
Show InChI InChI=1S/C24H31ClN4O3S/c1-18-6-7-19(25)16-23(18)28-12-14-29(15-13-28)24(30)21-17-20(33(31,32)26(2)3)8-9-22(21)27-10-4-5-11-27/h6-9,16-17H,4-5,10-15H2,1-3H3
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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 (Human))
BDBM68306
PNG
(3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]c...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cc(Cl)ccc1C
Show InChI InChI=1S/C24H31ClN4O3S/c1-18-6-7-19(25)16-23(18)28-12-14-29(15-13-28)24(30)21-17-20(33(31,32)26(2)3)8-9-22(21)27-10-4-5-11-27/h6-9,16-17H,4-5,10-15H2,1-3H3
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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))
BDBM68306
PNG
(3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]c...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cc(Cl)ccc1C
Show InChI InChI=1S/C24H31ClN4O3S/c1-18-6-7-19(25)16-23(18)28-12-14-29(15-13-28)24(30)21-17-20(33(31,32)26(2)3)8-9-22(21)27-10-4-5-11-27/h6-9,16-17H,4-5,10-15H2,1-3H3
PDB

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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))
BDBM68306
PNG
(3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]c...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cc(Cl)ccc1C
Show InChI InChI=1S/C24H31ClN4O3S/c1-18-6-7-19(25)16-23(18)28-12-14-29(15-13-28)24(30)21-17-20(33(31,32)26(2)3)8-9-22(21)27-10-4-5-11-27/h6-9,16-17H,4-5,10-15H2,1-3H3
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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 (Human))
BDBM68306
PNG
(3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]c...)
Show SMILES CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cc(Cl)ccc1C
Show InChI InChI=1S/C24H31ClN4O3S/c1-18-6-7-19(25)16-23(18)28-12-14-29(15-13-28)24(30)21-17-20(33(31,32)26(2)3)8-9-22(21)27-10-4-5-11-27/h6-9,16-17H,4-5,10-15H2,1-3H3
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
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