BDBM50136552 CHEMBL3753300

SMILES: CC(C)Cc1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H]2CCC(=O)N2)c(C)n1

InChI Key: InChIKey=SDCQNJRPSLMFIT-SFHVURJKSA-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 = 50136552   

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))	BDBM50136552 (CHEMBL3753300) Show SMILES CC(C)Cc1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H]2CCC(=O)N2)c(C)n1 |r| Show InChI InChI=1S/C24H29N5O3/c1-13(2)8-19-11-17(10-15(4)25-19)24-28-23(29-32-24)20-9-14(3)22(16(5)26-20)31-12-18-6-7-21(30)27-18/h9-11,13,18H,6-8,12H2,1-5H3,(H,27,30)/t18-/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	11	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))	BDBM50136552 (CHEMBL3753300) Show SMILES CC(C)Cc1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H]2CCC(=O)N2)c(C)n1 |r| Show InChI InChI=1S/C24H29N5O3/c1-13(2)8-19-11-17(10-15(4)25-19)24-28-23(29-32-24)20-9-14(3)22(16(5)26-20)31-12-18-6-7-21(30)27-18/h9-11,13,18H,6-8,12H2,1-5H3,(H,27,30)/t18-/m0/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	340	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))	BDBM50136552 (CHEMBL3753300) Show SMILES CC(C)Cc1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H]2CCC(=O)N2)c(C)n1 |r| Show InChI InChI=1S/C24H29N5O3/c1-13(2)8-19-11-17(10-15(4)25-19)24-28-23(29-32-24)20-9-14(3)22(16(5)26-20)31-12-18-6-7-21(30)27-18/h9-11,13,18H,6-8,12H2,1-5H3,(H,27,30)/t18-/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	>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