BDBM50164819 CHEMBL3799305

SMILES: CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(OC(C)C)c1

InChI Key: InChIKey=MUPCCRIUPDCKJW-FQEVSTJZSA-N

Data: 2 EC50

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 2 hits for monomerid = 50164819   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50164819 (CHEMBL3799305) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(OC(C)C)c1 |r| Show InChI InChI=1S/C25H32N4O6/c1-6-17-9-18(7-15(4)23(17)33-13-20(31)11-26-21(32)12-30)24-28-25(35-29-24)19-8-16(5)27-22(10-19)34-14(2)3/h7-10,14,20,30-31H,6,11-13H2,1-5H3,(H,26,32)/t20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	95	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP				Eur J Med Chem 115: 326-41 (2016) BindingDB Entry DOI: 10.7270/Q2M90BK2
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50164819 (CHEMBL3799305) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(OC(C)C)c1 |r| Show InChI InChI=1S/C25H32N4O6/c1-6-17-9-18(7-15(4)23(17)33-13-20(31)11-26-21(32)12-30)24-28-25(35-29-24)19-8-16(5)27-22(10-19)34-14(2)3/h7-10,14,20,30-31H,6,11-13H2,1-5H3,(H,26,32)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP				Eur J Med Chem 115: 326-41 (2016) BindingDB Entry DOI: 10.7270/Q2M90BK2
					More data for this Ligand-Target Pair