BDBM50380443 CHEMBL2018480

SMILES: Fc1ccc(Oc2ccc(NC(=O)[C@@H]3CN(Cc4ccccc4)CCN3C(=O)Cc3cnc[nH]3)cc2)cc1

InChI Key: InChIKey=KLPVZJKUPNMUTE-MHZLTWQESA-N

Data: 1 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 1 hit for monomerid = 50380443   

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))	BDBM50380443 (CHEMBL2018480) Show SMILES Fc1ccc(Oc2ccc(NC(=O)[C@@H]3CN(Cc4ccccc4)CCN3C(=O)Cc3cnc[nH]3)cc2)cc1 |r| Show InChI InChI=1S/C29H28FN5O3/c30-22-6-10-25(11-7-22)38-26-12-8-23(9-13-26)33-29(37)27-19-34(18-21-4-2-1-3-5-21)14-15-35(27)28(36)16-24-17-31-20-32-24/h1-13,17,20,27H,14-16,18-19H2,(H,31,32)(H,33,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry				J Med Chem 55: 1368-81 (2012) Article DOI: 10.1021/jm201533b BindingDB Entry DOI: 10.7270/Q2416Z1H
					More data for this Ligand-Target Pair