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BDBM50004298 2-Isopropoxy-quinoline-4-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide::CHEMBL332037

SMILES: CC(C)Oc1cc(C(=O)NC2CC3CCC(C2)N3C)c2ccccc2n1

InChI Key: InChIKey=JXOLMXLINBXECI-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50004298   
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 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50004298
PNG
(2-Isopropoxy-quinoline-4-carboxylic acid (8-methyl...)
Show SMILES CC(C)Oc1cc(C(=O)NC2CC3CCC(C2)N3C)c2ccccc2n1
Show InChI InChI=1S/C21H27N3O2/c1-13(2)26-20-12-18(17-6-4-5-7-19(17)23-20)21(25)22-14-10-15-8-9-16(11-14)24(15)3/h4-7,12-16H,8-11H2,1-3H3,(H,22,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
53n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15


J Med Chem 36: 3286-92 (1993)


Article DOI: 10.1021/jm00074a009
BindingDB Entry DOI: 10.7270/Q25H7GWF
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004298
PNG
(2-Isopropoxy-quinoline-4-carboxylic acid (8-methyl...)
Show SMILES CC(C)Oc1cc(C(=O)NC2CC3CCC(C2)N3C)c2ccccc2n1
Show InChI InChI=1S/C21H27N3O2/c1-13(2)26-20-12-18(17-6-4-5-7-19(17)23-20)21(25)22-14-10-15-8-9-16(11-14)24(15)3/h4-7,12-16H,8-11H2,1-3H3,(H,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
53n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL


Assay Description
Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.


J Med Chem 35: 4893-902 (1992)


Article DOI: 10.1021/jm00104a016
BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair