BDBM50419975 CHEMBL2018179

SMILES: CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12

InChI Key: InChIKey=JMIFOBXVJXOAPQ-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 = 50419975   

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))	BDBM50419975 (CHEMBL2018179) Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12 Show InChI InChI=1S/C21H19ClN4O4/c1-11(2)29-21-16(22)8-13(10-24-21)20-25-19(26-30-20)15-5-3-4-14-12(6-7-17(27)28)9-23-18(14)15/h3-5,8-11,23H,6-7H2,1-2H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as Ca2+ mobilization by GeneBLAzer assay				Bioorg Med Chem Lett 22: 2794-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.083 BindingDB Entry DOI: 10.7270/Q29G5P3R
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50419975 (CHEMBL2018179) Show SMILES CC(C)Oc1ncc(cc1Cl)-c1nc(no1)-c1cccc2c(CCC(O)=O)c[nH]c12 Show InChI InChI=1S/C21H19ClN4O4/c1-11(2)29-21-16(22)8-13(10-24-21)20-25-19(26-30-20)15-5-3-4-14-12(6-7-17(27)28)9-23-18(14)15/h3-5,8-11,23H,6-7H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.398	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at S1P1 receptor by Tango assay				Bioorg Med Chem Lett 22: 2794-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.083 BindingDB Entry DOI: 10.7270/Q29G5P3R
					More data for this Ligand-Target Pair