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BDBM50540724 CHEMBL4646264

SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(C=C)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N

InChI Key: InChIKey=HCQOSYRVXJTXHX-RGOVMONESA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50540724   
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))		BDBM50540724
PNG
(CHEMBL4646264)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(C=C)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r|
Show InChI InChI=1S/C25H39NO2/c1-5-25(28)15-18-20-7-6-19(16(2)10-13-26)23(20,3)12-9-21(18)24(4)11-8-17(27)14-22(24)25/h5,16-22,27-28H,1,6-12,14-15H2,2-4H3/t16-,17-,18+,19-,20+,21+,22-,23-,24-,25+/m1/s1
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PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 2.26E+3n/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...

ACS Med Chem Lett 11: 818-824 (2020)

More data for this
Ligand-Target Pair