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BDBM29539 benzimidazolone scaffold, 8g

SMILES: COc1cccc(c1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2C)c1=O

InChI Key: InChIKey=BJKXYCSLNNWPCJ-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 29539   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM29539
PNG
(benzimidazolone scaffold, 8g)
Show SMILES COc1cccc(c1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2C)c1=O
Show InChI InChI=1S/C27H30N4O2/c1-21-8-3-4-11-24(21)29-17-14-28(15-18-29)16-19-30-25-12-5-6-13-26(25)31(27(30)32)22-9-7-10-23(20-22)33-2/h3-13,20H,14-19H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
182 -9.56n/an/an/an/an/a7.437



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM29539
PNG
(benzimidazolone scaffold, 8g)
Show SMILES COc1cccc(c1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2C)c1=O
Show InChI InChI=1S/C27H30N4O2/c1-21-8-3-4-11-24(21)29-17-14-28(15-18-29)16-19-30-25-12-5-6-13-26(25)31(27(30)32)22-9-7-10-23(20-22)33-2/h3-13,20H,14-19H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Competition experiments were performed in the presence radioligand with membrane protein and test compounds. After incubation, the reaction stopped b...


Bioorg Med Chem Lett 19: 1600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.008
BindingDB Entry DOI: 10.7270/Q2KS6PW1
More data for this
Ligand-Target Pair