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BDBM50429150 CHEMBL2336209

SMILES: Cc1nn(C)c(Oc2cccc(Cl)c2)c1C(=O)N1CCCCC1c1cccnc1

InChI Key: InChIKey=OLDJOUOYWYORKE-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50429150   
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
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429150
PNG
(CHEMBL2336209)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2)c1C(=O)N1CCCCC1c1cccnc1
Show InChI InChI=1S/C22H23ClN4O2/c1-15-20(22(26(2)25-15)29-18-9-5-8-17(23)13-18)21(28)27-12-4-3-10-19(27)16-7-6-11-24-14-16/h5-9,11,13-14,19H,3-4,10,12H2,1-2H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 349n/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))
BDBM50429150
PNG
(CHEMBL2336209)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2)c1C(=O)N1CCCCC1c1cccnc1
Show InChI InChI=1S/C22H23ClN4O2/c1-15-20(22(26(2)25-15)29-18-9-5-8-17(23)13-18)21(28)27-12-4-3-10-19(27)16-7-6-11-24-14-16/h5-9,11,13-14,19H,3-4,10,12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/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