BDBM50136553 CHEMBL3753479

SMILES: CC(C)Cc1cc(nc(C)n1)-c1nc(no1)-c1ccc(O[C@@H]2CCC(=O)NC2)c(F)c1

InChI Key: InChIKey=GMEODUAZQQLOFF-MRXNPFEDSA-N

Data: 3 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 3 hits for monomerid = 50136553   

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 1 (Homo sapiens (Human))	BDBM50136553 (CHEMBL3753479) Show SMILES CC(C)Cc1cc(nc(C)n1)-c1nc(no1)-c1ccc(O[C@@H]2CCC(=O)NC2)c(F)c1 |r| Show InChI InChI=1S/C22H24FN5O3/c1-12(2)8-15-10-18(26-13(3)25-15)22-27-21(28-31-22)14-4-6-19(17(23)9-14)30-16-5-7-20(29)24-11-16/h4,6,9-10,12,16H,5,7-8,11H2,1-3H3,(H,24,29)/t16-/m1/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	50	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin ...				Bioorg Med Chem Lett 26: 466-71 (2016) BindingDB Entry DOI: 10.7270/Q2GX4DD4
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50136553 (CHEMBL3753479) Show SMILES CC(C)Cc1cc(nc(C)n1)-c1nc(no1)-c1ccc(O[C@@H]2CCC(=O)NC2)c(F)c1 |r| Show InChI InChI=1S/C22H24FN5O3/c1-12(2)8-15-10-18(26-13(3)25-15)22-27-21(28-31-22)14-4-6-19(17(23)9-14)30-16-5-7-20(29)24-11-16/h4,6,9-10,12,16H,5,7-8,11H2,1-3H3,(H,24,29)/t16-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P5 receptor expressed in EDG8-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin ...				Bioorg Med Chem Lett 26: 466-71 (2016) BindingDB Entry DOI: 10.7270/Q2GX4DD4
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50136553 (CHEMBL3753479) Show SMILES CC(C)Cc1cc(nc(C)n1)-c1nc(no1)-c1ccc(O[C@@H]2CCC(=O)NC2)c(F)c1 |r| Show InChI InChI=1S/C22H24FN5O3/c1-12(2)8-15-10-18(26-13(3)25-15)22-27-21(28-31-22)14-4-6-19(17(23)9-14)30-16-5-7-20(29)24-11-16/h4,6,9-10,12,16H,5,7-8,11H2,1-3H3,(H,24,29)/t16-/m1/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	>1.00E+4	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin ...				Bioorg Med Chem Lett 26: 466-71 (2016) BindingDB Entry DOI: 10.7270/Q2GX4DD4
					More data for this Ligand-Target Pair