BDBM50380425 CHEMBL2018460

SMILES: O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=OTVCDROFRMXUDM-VWLOTQADSA-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 = 50380425   

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))	BDBM50380425 (CHEMBL2018460) Show SMILES O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C27H26N4O4/c32-26(15-22-16-28-19-29-22)31-25(18-34-17-20-7-3-1-4-8-20)27(33)30-21-11-13-24(14-12-21)35-23-9-5-2-6-10-23/h1-14,16,19,25H,15,17-18H2,(H,28,29)(H,30,33)(H,31,32)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	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