null

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

InChI Key: InChIKey=NEFXUCSKWDVFMA-DEOSSOPVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50165413   

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))	BDBM50165413 (CHEMBL3799026) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(CN(C)CC(C)C)c1 |r| Show InChI InChI=1S/C28H39N5O5/c1-7-20-10-21(8-18(4)26(20)37-16-24(35)12-29-25(36)15-34)27-31-28(38-32-27)22-9-19(5)30-23(11-22)14-33(6)13-17(2)3/h8-11,17,24,34-35H,7,12-16H2,1-6H3,(H,29,36)/t24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	560	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 assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...				Eur J Med Chem 116: 222-238 (2016) BindingDB Entry DOI: 10.7270/Q2ST7RRN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50165413 (CHEMBL3799026) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(CN(C)CC(C)C)c1 |r| Show InChI InChI=1S/C28H39N5O5/c1-7-20-10-21(8-18(4)26(20)37-16-24(35)12-29-25(36)15-34)27-31-28(38-32-27)22-9-19(5)30-23(11-22)14-33(6)13-17(2)3/h8-11,17,24,34-35H,7,12-16H2,1-6H3,(H,29,36)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.20	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 assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...				Eur J Med Chem 116: 222-238 (2016) BindingDB Entry DOI: 10.7270/Q2ST7RRN
					More data for this Ligand-Target Pair