BDBM50164815 CHEMBL3798969

SMILES: CCc1cc(cc(OC2CCCC2)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1

InChI Key: InChIKey=SIGNNWGITUIOID-QFIPXVFZSA-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 = 50164815   

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))	BDBM50164815 (CHEMBL3798969) Show SMILES CCc1cc(cc(OC2CCCC2)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C28H36N4O6/c1-4-18-11-19(10-17(3)26(18)36-16-22(34)14-29-24(35)15-33)27-31-28(38-32-27)20-12-21(5-2)30-25(13-20)37-23-8-6-7-9-23/h10-13,22-23,33-34H,4-9,14-16H2,1-3H3,(H,29,35)/t22-/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	50	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))	BDBM50164815 (CHEMBL3798969) Show SMILES CCc1cc(cc(OC2CCCC2)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C28H36N4O6/c1-4-18-11-19(10-17(3)26(18)36-16-22(34)14-29-24(35)15-33)27-31-28(38-32-27)20-12-21(5-2)30-25(13-20)37-23-8-6-7-9-23/h10-13,22-23,33-34H,4-9,14-16H2,1-3H3,(H,29,35)/t22-/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	1.10	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 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