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BDBM50428102 CHEMBL2331651

InChI string: InChI=1S/C21H25F2N5O2/c1-3-25-20-26-16-10-11-28(12-15(16)18(27-20)19(24)30)17(29)9-6-13-4-7-14(8-5-13)21(2,22)23/h4-5,7-8H,3,6,9-12H2,1-2H3,(H2,24,30)(H,25,26,27)

SMILES: CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(cc1)C(C)(F)F

InChI Key: InChIKey=MXGSPDOBOMJLPQ-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 = 50428102   
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))
BDBM50428102
PNG
(CHEMBL2331651)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(cc1)C(C)(F)F
Show InChI InChI=1S/C21H25F2N5O2/c1-3-25-20-26-16-10-11-28(12-15(16)18(27-20)19(24)30)17(29)9-6-13-4-7-14(8-5-13)21(2,22)23/h4-5,7-8H,3,6,9-12H2,1-2H3,(H2,24,30)(H,25,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/an/an/a 2.70n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


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


(Homo sapiens (human))
BDBM50428102
PNG
(CHEMBL2331651)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(cc1)C(C)(F)F
Show InChI InChI=1S/C21H25F2N5O2/c1-3-25-20-26-16-10-11-28(12-15(16)18(27-20)19(24)30)17(29)9-6-13-4-7-14(8-5-13)21(2,22)23/h4-5,7-8H,3,6,9-12H2,1-2H3,(H2,24,30)(H,25,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/an/an/a 146n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


Citation and Details
More data for this
Ligand-Target Pair