BDBM50248419 CHEMBL4100453

SMILES: CC(C)Oc1ccc(cc1C#N)C#Cc1ccc(Cn2ccnc2)cc1Cl

InChI Key: InChIKey=JIPUYLUUJVZDNL-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50248419   

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))	BDBM50248419 (CHEMBL4100453) Show SMILES CC(C)Oc1ccc(cc1C#N)C#Cc1ccc(Cn2ccnc2)cc1Cl Show InChI InChI=1S/C22H18ClN3O/c1-16(2)27-22-8-5-17(11-20(22)13-24)3-6-19-7-4-18(12-21(19)23)14-26-10-9-25-15-26/h4-5,7-12,15-16H,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.5	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in cell membranes after 30 mins by [35S] GTPgammaS binding based scintillation counting analysis				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair