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BDBM31008 MLS000036322::N-[1-[3-(dimethylamino)propyl]-2-benzimidazolyl]cyclohexanecarboxamide::N-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]cyclohexanecarboxamide::SMR000057931::cid_660499

SMILES: CN(C)CCCn1c(NC(=O)C2CCCCC2)nc2ccccc12

InChI Key: InChIKey=ZDBUAKRDJWNFCB-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 31008   
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM31008
PNG
(MLS000036322 | N-[1-[3-(dimethylamino)propyl]-2-be...)
Show SMILES CN(C)CCCn1c(NC(=O)C2CCCCC2)nc2ccccc12
Show InChI InChI=1S/C19H28N4O/c1-22(2)13-8-14-23-17-12-7-6-11-16(17)20-19(23)21-18(24)15-9-4-3-5-10-15/h6-7,11-12,15H,3-5,8-10,13-14H2,1-2H3,(H,20,21,24)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WW7G03
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM31008
PNG
(MLS000036322 | N-[1-[3-(dimethylamino)propyl]-2-be...)
Show SMILES CN(C)CCCn1c(NC(=O)C2CCCCC2)nc2ccccc12
Show InChI InChI=1S/C19H28N4O/c1-22(2)13-8-14-23-17-12-7-6-11-16(17)20-19(23)21-18(24)15-9-4-3-5-10-15/h6-7,11-12,15H,3-5,8-10,13-14H2,1-2H3,(H,20,21,24)
NCI pathway
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KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>4.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PN941W
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM31008
PNG
(MLS000036322 | N-[1-[3-(dimethylamino)propyl]-2-be...)
Show SMILES CN(C)CCCn1c(NC(=O)C2CCCCC2)nc2ccccc12
Show InChI InChI=1S/C19H28N4O/c1-22(2)13-8-14-23-17-12-7-6-11-16(17)20-19(23)21-18(24)15-9-4-3-5-10-15/h6-7,11-12,15H,3-5,8-10,13-14H2,1-2H3,(H,20,21,24)
Reactome pathway
KEGG

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 469n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q52MZM
More data for this
Ligand-Target Pair