BDBM50165406 CHEMBL3799686

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

InChI Key: InChIKey=MRILPTODMZTGQK-VWLOTQADSA-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 = 50165406   

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))	BDBM50165406 (CHEMBL3799686) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)cc(CN(C)CC(C)C)c1 |r| Show InChI InChI=1S/C29H40N4O5/c1-7-22-12-23(10-20(5)27(22)37-17-25(35)13-30-26(36)16-34)28-31-29(38-32-28)24-9-19(4)8-21(11-24)15-33(6)14-18(2)3/h8-12,18,25,34-35H,7,13-17H2,1-6H3,(H,30,36)/t25-/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	100	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))	BDBM50165406 (CHEMBL3799686) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)cc(CN(C)CC(C)C)c1 |r| Show InChI InChI=1S/C29H40N4O5/c1-7-22-12-23(10-20(5)27(22)37-17-25(35)13-30-26(36)16-34)28-31-29(38-32-28)24-9-19(4)8-21(11-24)15-33(6)14-18(2)3/h8-12,18,25,34-35H,7,13-17H2,1-6H3,(H,30,36)/t25-/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	2.10	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