BDBM50156674 CHEMBL3793145

SMILES: CCCc1c(noc1-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1)-c1ccccn1

InChI Key: InChIKey=SLRXSFQHNXRKQK-UHFFFAOYSA-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 = 50156674   

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))	BDBM50156674 (CHEMBL3793145) Show SMILES CCCc1c(noc1-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1)-c1ccccn1 Show InChI InChI=1S/C24H23N5O4/c1-2-5-18-20(19-6-3-4-11-25-19)27-32-21(18)23-26-22(28-33-23)16-9-7-15(8-10-16)12-29-13-17(14-29)24(30)31/h3-4,6-11,17H,2,5,12-14H2,1H3,(H,30,31)	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	0.210	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liq...				Bioorg Med Chem Lett 26: 2470-4 (2016) BindingDB Entry DOI: 10.7270/Q23T9K3M
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50156674 (CHEMBL3793145) Show SMILES CCCc1c(noc1-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1)-c1ccccn1 Show InChI InChI=1S/C24H23N5O4/c1-2-5-18-20(19-6-3-4-11-25-19)27-32-21(18)23-26-22(28-33-23)16-9-7-15(8-10-16)12-29-13-17(14-29)24(30)31/h3-4,6-11,17H,2,5,12-14H2,1H3,(H,30,31)	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	630	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes assessed as stimulation of [35S]GTPgamma binding incubated ...				Bioorg Med Chem Lett 26: 2470-4 (2016) BindingDB Entry DOI: 10.7270/Q23T9K3M
					More data for this Ligand-Target Pair