BDBM50164817 CHEMBL3800019

SMILES: CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(OC2CCCC2)c1

InChI Key: InChIKey=AWSQXFXRSMMJTH-NRFANRHFSA-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 = 50164817   

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))	BDBM50164817 (CHEMBL3800019) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(OC2CCCC2)c1 |r| Show InChI InChI=1S/C27H34N4O6/c1-4-18-11-19(9-16(2)25(18)35-15-21(33)13-28-23(34)14-32)26-30-27(37-31-26)20-10-17(3)29-24(12-20)36-22-7-5-6-8-22/h9-12,21-22,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/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	190	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))	BDBM50164817 (CHEMBL3800019) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(OC2CCCC2)c1 |r| Show InChI InChI=1S/C27H34N4O6/c1-4-18-11-19(9-16(2)25(18)35-15-21(33)13-28-23(34)14-32)26-30-27(37-31-26)20-10-17(3)29-24(12-20)36-22-7-5-6-8-22/h9-12,21-22,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/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	1	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