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BDBM50429127 CHEMBL2331604

InChI string: InChI=1S/C19H20Cl2N4O2S/c1-11(2)25(9-13-8-22-10-28-13)18(26)16-12(3)23-24(4)19(16)27-15-7-5-6-14(20)17(15)21/h5-8,10-11H,9H2,1-4H3

SMILES: CC(C)N(Cc1cncs1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl

InChI Key: InChIKey=YLRYILRDWQYCMM-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 = 50429127   
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


(Homo sapiens (human))
BDBM50429127
PNG
(CHEMBL2331604)
Show SMILES CC(C)N(Cc1cncs1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H20Cl2N4O2S/c1-11(2)25(9-13-8-22-10-28-13)18(26)16-12(3)23-24(4)19(16)27-15-7-5-6-14(20)17(15)21/h5-8,10-11H,9H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/an/a 1.80n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...


Bioorg Med Chem Lett 23: 1407-11 (2013)

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


(Homo sapiens (human))
BDBM50429127
PNG
(CHEMBL2331604)
Show SMILES CC(C)N(Cc1cncs1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H20Cl2N4O2S/c1-11(2)25(9-13-8-22-10-28-13)18(26)16-12(3)23-24(4)19(16)27-15-7-5-6-14(20)17(15)21/h5-8,10-11H,9H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/an/a 60n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair