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BDBM50540720 CHEMBL4647613

SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(CC)[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=SHKPRJPQIFWRBP-RGOVMONESA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50540720   
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))		BDBM50540720
PNG
(CHEMBL4647613)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(CC)[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/C25H41NO2/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/h16-22,27-28H,5-12,14-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,22-,23-,24-,25+/m1/s1
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PC cid
PC sid
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n/an/an/an/a 300n/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