BDBM50136551 CHEMBL3753609

SMILES: CC(C)Nc1cc(cc(C)n1)-c1nc(no1)-c1ccc(O[C@H]2CCC(=O)NC2)c(C)n1

InChI Key: InChIKey=SFBFJQXHRYGKHV-INIZCTEOSA-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 = 50136551   

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))	BDBM50136551 (CHEMBL3753609) Show SMILES CC(C)Nc1cc(cc(C)n1)-c1nc(no1)-c1ccc(O[C@H]2CCC(=O)NC2)c(C)n1 |r| Show InChI InChI=1S/C22H26N6O3/c1-12(2)24-19-10-15(9-13(3)25-19)22-27-21(28-31-22)17-6-7-18(14(4)26-17)30-16-5-8-20(29)23-11-16/h6-7,9-10,12,16H,5,8,11H2,1-4H3,(H,23,29)(H,24,25)/t16-/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	42	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))	BDBM50136551 (CHEMBL3753609) Show SMILES CC(C)Nc1cc(cc(C)n1)-c1nc(no1)-c1ccc(O[C@H]2CCC(=O)NC2)c(C)n1 |r| Show InChI InChI=1S/C22H26N6O3/c1-12(2)24-19-10-15(9-13(3)25-19)22-27-21(28-31-22)17-6-7-18(14(4)26-17)30-16-5-8-20(29)23-11-16/h6-7,9-10,12,16H,5,8,11H2,1-4H3,(H,23,29)(H,24,25)/t16-/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	350	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))	BDBM50136551 (CHEMBL3753609) Show SMILES CC(C)Nc1cc(cc(C)n1)-c1nc(no1)-c1ccc(O[C@H]2CCC(=O)NC2)c(C)n1 |r| Show InChI InChI=1S/C22H26N6O3/c1-12(2)24-19-10-15(9-13(3)25-19)22-27-21(28-31-22)17-6-7-18(14(4)26-17)30-16-5-8-20(29)23-11-16/h6-7,9-10,12,16H,5,8,11H2,1-4H3,(H,23,29)(H,24,25)/t16-/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