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BDBM87547 3-[1-[cyclopropyl-[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one::3-[1-[cyclopropyl-[1-(4-methoxyphenyl)-5-tetrazolyl]methyl]-4-piperidinyl]-1H-benzimidazol-2-one::3-[1-[cyclopropyl-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-4-piperidyl]-1H-benzimidazol-2-one::3-[1-[cyclopropyl-[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one::MLS003315674::SMR001994809::cid_51360334

SMILES: COc1ccc(cc1)-n1nnnc1C(C1CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O

InChI Key: InChIKey=SULSWVACLAPEIX-UHFFFAOYSA-N

Data: 2 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 4 hits for monomerid = 87547   
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
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM87547
PNG
(3-[1-[cyclopropyl-[1-(4-methoxyphenyl)-1,2,3,4-tet...)
Show SMILES COc1ccc(cc1)-n1nnnc1C(C1CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C24H27N7O2/c1-33-19-10-8-18(9-11-19)31-23(26-27-28-31)22(16-6-7-16)29-14-12-17(13-15-29)30-21-5-3-2-4-20(21)25-24(30)32/h2-5,8-11,16-17,22H,6-7,12-15H2,1H3,(H,25,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.24E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q20G3HS3
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM87547
PNG
(3-[1-[cyclopropyl-[1-(4-methoxyphenyl)-1,2,3,4-tet...)
Show SMILES COc1ccc(cc1)-n1nnnc1C(C1CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C24H27N7O2/c1-33-19-10-8-18(9-11-19)31-23(26-27-28-31)22(16-6-7-16)29-14-12-17(13-15-29)30-21-5-3-2-4-20(21)25-24(30)32/h2-5,8-11,16-17,22H,6-7,12-15H2,1H3,(H,25,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>9.96E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QSB
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM87547
PNG
(3-[1-[cyclopropyl-[1-(4-methoxyphenyl)-1,2,3,4-tet...)
Show SMILES COc1ccc(cc1)-n1nnnc1C(C1CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C24H27N7O2/c1-33-19-10-8-18(9-11-19)31-23(26-27-28-31)22(16-6-7-16)29-14-12-17(13-15-29)30-21-5-3-2-4-20(21)25-24(30)32/h2-5,8-11,16-17,22H,6-7,12-15H2,1H3,(H,25,32)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2M61HV2
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM87547
PNG
(3-[1-[cyclopropyl-[1-(4-methoxyphenyl)-1,2,3,4-tet...)
Show SMILES COc1ccc(cc1)-n1nnnc1C(C1CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C24H27N7O2/c1-33-19-10-8-18(9-11-19)31-23(26-27-28-31)22(16-6-7-16)29-14-12-17(13-15-29)30-21-5-3-2-4-20(21)25-24(30)32/h2-5,8-11,16-17,22H,6-7,12-15H2,1H3,(H,25,32)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2VQ3196
More data for this
Ligand-Target Pair