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SMILES: Cc1cc(O[C@H]2CC[C@@H](CC2)C(C)(C)C)c(CN2CCC(C2)C(O)=O)c2ccccc12

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50559619   
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
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))		BDBM50559619
PNG
(CHEMBL4798181)
Show SMILES Cc1cc(O[C@H]2CC[C@@H](CC2)C(C)(C)C)c(CN2CCC(C2)C(O)=O)c2ccccc12 |r,wU:8.11,wD:5.4,(11.56,-5.73,;11.56,-7.27,;10.23,-8.04,;10.23,-9.59,;8.9,-10.35,;7.56,-9.58,;7.57,-8.04,;6.25,-7.27,;4.91,-8.03,;4.9,-9.57,;6.24,-10.35,;3.58,-7.25,;3.58,-5.71,;2.24,-8.02,;2.23,-6.48,;11.56,-10.36,;11.57,-11.9,;12.9,-12.66,;13.07,-14.19,;14.58,-14.51,;15.34,-13.17,;14.31,-12.03,;16.87,-13.01,;17.78,-14.25,;17.5,-11.6,;12.9,-9.58,;14.23,-10.35,;15.57,-9.57,;15.56,-8.02,;14.22,-7.26,;12.9,-8.03,)|
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.960n/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant human S1P5 receptor expressed in Chem-1 cells assessed as EC80 S1P-induced calcium flux measured for 180 secs by F...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00631
BindingDB Entry DOI: 10.7270/Q2D79G4R
More data for this
Ligand-Target Pair