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BDBM50019479 CHEMBL3290713

InChI string: InChI=1S/C25H22N4O3/c1-16-19-14-18(8-9-24(19)32-27-16)31-23-10-11-26-15-20(23)25(30)29-13-12-28(17-6-7-17)21-4-2-3-5-22(21)29/h2-5,8-11,14-15,17H,6-7,12-13H2,1H3

SMILES: Cc1noc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12

InChI Key: InChIKey=QEXDHLVQFHJZIJ-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 = 50019479   
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)
BDBM50019479
PNG
(CHEMBL3290713)
Show SMILES Cc1noc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
Show InChI InChI=1S/C25H22N4O3/c1-16-19-14-18(8-9-24(19)32-27-16)31-23-10-11-26-15-20(23)25(30)29-13-12-28(17-6-7-17)21-4-2-3-5-22(21)29/h2-5,8-11,14-15,17H,6-7,12-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 5.5n/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))
BDBM50019479
PNG
(CHEMBL3290713)
Show SMILES Cc1noc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12
Show InChI InChI=1S/C25H22N4O3/c1-16-19-14-18(8-9-24(19)32-27-16)31-23-10-11-26-15-20(23)25(30)29-13-12-28(17-6-7-17)21-4-2-3-5-22(21)29/h2-5,8-11,14-15,17H,6-7,12-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 1.5n/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