BDBM50499636 CHEMBL3741022

SMILES: OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(c2)[N+]([O-])=O)C1

InChI Key: InChIKey=IUOXTZXENSYXDS-UHFFFAOYSA-N

Data: 2 IC50

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 = 50499636   

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))	BDBM50499636 (CHEMBL3741022) Show SMILES OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(c2)[N+]([O-])=O)C1 Show InChI InChI=1S/C18H16Cl2N2O5/c19-14-3-1-12(5-15(14)20)10-27-17-4-2-11(6-16(17)22(25)26)7-21-8-13(9-21)18(23)24/h1-6,13H,7-10H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB ...				J Med Chem 58: 9154-70 (2015) Article DOI: 10.1021/acs.jmedchem.5b00928 BindingDB Entry DOI: 10.7270/Q2PZ5CV4
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50499636 (CHEMBL3741022) Show SMILES OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(c2)[N+]([O-])=O)C1 Show InChI InChI=1S/C18H16Cl2N2O5/c19-14-3-1-12(5-15(14)20)10-27-17-4-2-11(6-16(17)22(25)26)7-21-8-13(9-21)18(23)24/h1-6,13H,7-10H2,(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [33P]S1P from S1P5 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB ...				J Med Chem 58: 9154-70 (2015) Article DOI: 10.1021/acs.jmedchem.5b00928 BindingDB Entry DOI: 10.7270/Q2PZ5CV4
					More data for this Ligand-Target Pair