BDBM50136393 CHEMBL3754698

SMILES: CC(C)Nc1cc(cc(C)n1)-c1nnc(s1)-c1cc(F)c(OC[C@H]2COCCN2C(C)=O)cc1Cl

InChI Key: InChIKey=HQXWMQPHFAEFTF-QGZVFWFLSA-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 = 50136393   

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))	BDBM50136393 (CHEMBL3754698) Show SMILES CC(C)Nc1cc(cc(C)n1)-c1nnc(s1)-c1cc(F)c(OC[C@H]2COCCN2C(C)=O)cc1Cl |r| Show InChI InChI=1S/C24H27ClFN5O3S/c1-13(2)27-22-8-16(7-14(3)28-22)23-29-30-24(35-23)18-9-20(26)21(10-19(18)25)34-12-17-11-33-6-5-31(17)15(4)32/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,27,28)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin ...				Bioorg Med Chem Lett 26: 466-71 (2016) BindingDB Entry DOI: 10.7270/Q2GX4DD4
					More data for this Ligand-Target Pair