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

InChI Key:

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50559625   
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))		BDBM50559625
PNG
(CHEMBL4778095)
Show SMILES Cc1cc(O[C@H]2CC[C@@H](CC2)C(C)(C)C)c(CNCCCC(O)=O)c2ccccc12 |r,wU:8.11,wD:5.4,(11.95,-5.46,;11.95,-7,;10.62,-7.77,;10.62,-9.31,;9.29,-10.08,;7.95,-9.31,;7.96,-7.76,;6.64,-6.99,;5.3,-7.76,;5.29,-9.3,;6.63,-10.08,;3.97,-6.98,;3.97,-5.44,;2.63,-7.74,;2.62,-6.21,;11.95,-10.08,;11.96,-11.62,;13.29,-12.39,;13.3,-13.93,;14.63,-14.7,;14.64,-16.24,;15.97,-17.01,;15.97,-18.55,;17.3,-16.23,;13.29,-9.31,;14.62,-10.07,;15.96,-9.3,;15.95,-7.75,;14.61,-6.99,;13.29,-7.76,)|
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.40n/an/an/an/a


TBA



Citation and Details

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