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BDBM76033 4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-N-(phenylmethyl)-1-piperazinecarboxamide::4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-N-(phenylmethyl)piperazine-1-carboxamide::MLS-0437132.0001::N-benzyl-4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide::N-benzyl-4-(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide::cid_1468079

SMILES: Cc1nc(N2CCN(CC2)C(=O)NCc2ccccc2)c2c3CCCCc3sc2n1

InChI Key: InChIKey=YYCKOMWYJTYGLL-UHFFFAOYSA-N

Data: 4 IC50  3 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 7 hits for monomerid = 76033   
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))
BDBM76033
PNG
(4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-...)
Show SMILES Cc1nc(N2CCN(CC2)C(=O)NCc2ccccc2)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C23H27N5OS/c1-16-25-21(20-18-9-5-6-10-19(18)30-22(20)26-16)27-11-13-28(14-12-27)23(29)24-15-17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-15H2,1H3,(H,24,29)
PDB

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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) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2348HTX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM76033
PNG
(4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-...)
Show SMILES Cc1nc(N2CCN(CC2)C(=O)NCc2ccccc2)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C23H27N5OS/c1-16-25-21(20-18-9-5-6-10-19(18)30-22(20)26-16)27-11-13-28(14-12-27)23(29)24-15-17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-15H2,1H3,(H,24,29)
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n/an/a>1.52E+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/Q2ZC81B1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM76033
PNG
(4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-...)
Show SMILES Cc1nc(N2CCN(CC2)C(=O)NCc2ccccc2)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C23H27N5OS/c1-16-25-21(20-18-9-5-6-10-19(18)30-22(20)26-16)27-11-13-28(14-12-27)23(29)24-15-17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-15H2,1H3,(H,24,29)
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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) Network...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TM78KV
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM76033
PNG
(4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-...)
Show SMILES Cc1nc(N2CCN(CC2)C(=O)NCc2ccccc2)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C23H27N5OS/c1-16-25-21(20-18-9-5-6-10-19(18)30-22(20)26-16)27-11-13-28(14-12-27)23(29)24-15-17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-15H2,1H3,(H,24,29)
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n/an/a 1.30E+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(SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM76033
PNG
(4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-...)
Show SMILES Cc1nc(N2CCN(CC2)C(=O)NCc2ccccc2)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C23H27N5OS/c1-16-25-21(20-18-9-5-6-10-19(18)30-22(20)26-16)27-11-13-28(14-12-27)23(29)24-15-17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-15H2,1H3,(H,24,29)
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n/an/a 6.66E+3n/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) Network...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K35S3P
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM76033
PNG
(4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-...)
Show SMILES Cc1nc(N2CCN(CC2)C(=O)NCc2ccccc2)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C23H27N5OS/c1-16-25-21(20-18-9-5-6-10-19(18)30-22(20)26-16)27-11-13-28(14-12-27)23(29)24-15-17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-15H2,1H3,(H,24,29)
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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 Network: NIH Molecular Libr...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FB51DS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM76033
PNG
(4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-...)
Show SMILES Cc1nc(N2CCN(CC2)C(=O)NCc2ccccc2)c2c3CCCCc3sc2n1
Show InChI InChI=1S/C23H27N5OS/c1-16-25-21(20-18-9-5-6-10-19(18)30-22(20)26-16)27-11-13-28(14-12-27)23(29)24-15-17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-15H2,1H3,(H,24,29)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
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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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PV6HTP
More data for this
Ligand-Target Pair