BindingDB logo
myBDB logout

null

SMILES: Cc1cc(O[C@H]2CC[C@@H](CC2)C(C)(C)C)c(CNC2CCC(C2)C(O)=O)c2ccccc12

InChI Key:

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 1 hit for monomerid = 50559623   
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))		BDBM50559623
PNG
(CHEMBL4747262)
Show SMILES Cc1cc(O[C@H]2CC[C@@H](CC2)C(C)(C)C)c(CNC2CCC(C2)C(O)=O)c2ccccc12 |r,wU:8.11,wD:5.4,(14.87,-3.29,;14.87,-4.83,;13.55,-5.6,;13.54,-7.14,;12.21,-7.91,;10.88,-7.14,;10.89,-5.59,;9.56,-4.82,;8.22,-5.59,;8.22,-7.13,;9.55,-7.91,;6.89,-4.81,;6.9,-3.27,;5.55,-5.57,;5.55,-4.04,;14.88,-7.91,;14.88,-9.45,;16.22,-10.22,;16.22,-11.76,;17.47,-12.66,;17,-14.13,;15.46,-14.13,;14.98,-12.67,;14.56,-15.38,;13.03,-15.22,;15.19,-16.79,;16.21,-7.14,;17.55,-7.9,;18.88,-7.13,;18.87,-5.58,;17.54,-4.82,;16.21,-5.59,)|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.810n/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