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BDBM50019478 CHEMBL3290715

InChI string: InChI=1S/C25H20ClN3O3/c26-19-14-23-16(8-12-31-23)13-24(19)32-22-7-9-27-15-18(22)25(30)29-11-10-28(17-5-6-17)20-3-1-2-4-21(20)29/h1-4,7-9,12-15,17H,5-6,10-11H2

SMILES: Clc1cc2occc2cc1Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12

InChI Key: InChIKey=UYMILKMRNOZXPJ-UHFFFAOYSA-N

Data: 2 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 = 50019478   
Target
(Institution)
LigandTarget
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
G-protein coupled bile acid receptor 1


(Mus musculus)
BDBM50019478
PNG
(CHEMBL3290715)
Show SMILES Clc1cc2occc2cc1Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12
Show InChI InChI=1S/C25H20ClN3O3/c26-19-14-23-16(8-12-31-23)13-24(19)32-22-7-9-27-15-18(22)25(30)29-11-10-28(17-5-6-17)20-3-1-2-4-21(20)29/h1-4,7-9,12-15,17H,5-6,10-11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay


Eur J Med Chem 82: 1-15 (2014)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50019478
PNG
(CHEMBL3290715)
Show SMILES Clc1cc2occc2cc1Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12
Show InChI InChI=1S/C25H20ClN3O3/c26-19-14-23-16(8-12-31-23)13-24(19)32-22-7-9-27-15-18(22)25(30)29-11-10-28(17-5-6-17)20-3-1-2-4-21(20)29/h1-4,7-9,12-15,17H,5-6,10-11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 1.40n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay


Eur J Med Chem 82: 1-15 (2014)

More data for this
Ligand-Target Pair