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BDBM50206251 CHEMBL3951684

SMILES: Brc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)nccn12

InChI Key: InChIKey=NIWYOWSZICGRPD-XISACWJONA-N

Data: 1 IC50  1 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 2 hits for monomerid = 50206251   
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
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50206251
PNG
(CHEMBL3951684)
Show SMILES Brc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)nccn12
Show InChI InChI=1/C16H18BrN5O/c17-13-2-1-12-14(18-5-8-22(12)13)20-15-19-9-16(23-15)10-21-6-3-11(16)4-7-21/h1-2,5,8,11H,3-4,6-7,9-10H2,(H,18,19,20)/t16-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 91n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at alpha7 nACh receptor (unknown origin) expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4-AM dye based FLIPR as...


ACS Med Chem Lett 8: 133-137 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00471
BindingDB Entry DOI: 10.7270/Q2765HBF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50206251
PNG
(CHEMBL3951684)
Show SMILES Brc1ccc2c(NC3=NC[C@@]4(CN5CCC4CC5)O3)nccn12
Show InChI InChI=1/C16H18BrN5O/c17-13-2-1-12-14(18-5-8-22(12)13)20-15-19-9-16(23-15)10-21-6-3-11(16)4-7-21/h1-2,5,8,11H,3-4,6-7,9-10H2,(H,18,19,20)/t16-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of Ca2+ flux by Fluo-4-AM dye based FLIPR as...


ACS Med Chem Lett 8: 133-137 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00471
BindingDB Entry DOI: 10.7270/Q2765HBF
More data for this
Ligand-Target Pair