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BDBM50327520 CHEMBL1258310::N-(4-chlorobenzyl)-1-(7-methoxy-2-(thiophen-3-yl)quinolin-3-yl)methanamine

SMILES: COc1ccc2cc(CNCc3ccc(Cl)cc3)c(nc2c1)-c1ccsc1

InChI Key: InChIKey=WAGYXCGXJVEIFG-UHFFFAOYSA-N

Data: 2 IC50

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 = 50327520   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G-protein coupled bile acid receptor 1


(Mus musculus)
BDBM50327520
PNG
(CHEMBL1258310 | N-(4-chlorobenzyl)-1-(7-methoxy-2-...)
Show SMILES COc1ccc2cc(CNCc3ccc(Cl)cc3)c(nc2c1)-c1ccsc1
Show InChI InChI=1S/C22H19ClN2OS/c1-26-20-7-4-16-10-18(13-24-12-15-2-5-19(23)6-3-15)22(25-21(16)11-20)17-8-9-27-14-17/h2-11,14,24H,12-13H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level


Bioorg Med Chem Lett 20: 5718-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50327520
PNG
(CHEMBL1258310 | N-(4-chlorobenzyl)-1-(7-methoxy-2-...)
Show SMILES COc1ccc2cc(CNCc3ccc(Cl)cc3)c(nc2c1)-c1ccsc1
Show InChI InChI=1S/C22H19ClN2OS/c1-26-20-7-4-16-10-18(13-24-12-15-2-5-19(23)6-3-15)22(25-21(16)11-20)17-8-9-27-14-17/h2-11,14,24H,12-13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level


Bioorg Med Chem Lett 20: 5718-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H
More data for this
Ligand-Target Pair