BDBM50364602 CHEMBL1951156

SMILES: Cc1cccc(Oc2ccc(cc2)-c2nc(no2)-c2csc(CN3CC(C3)C(O)=O)c2)c1

InChI Key: InChIKey=GIHPQDVYSVBQIQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50364602   

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 3 (Homo sapiens (Human))	BDBM50364602 (CHEMBL1951156) Show SMILES Cc1cccc(Oc2ccc(cc2)-c2nc(no2)-c2csc(CN3CC(C3)C(O)=O)c2)c1 Show InChI InChI=1S/C24H21N3O4S/c1-15-3-2-4-20(9-15)30-19-7-5-16(6-8-19)23-25-22(26-31-23)17-10-21(32-14-17)13-27-11-18(12-27)24(28)29/h2-10,14,18H,11-13H2,1H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor assessed as stimulation of [35S]GTPgamma binding				Bioorg Med Chem Lett 22: 1788-92 (2012) Article DOI: 10.1016/j.bmcl.2011.12.019 BindingDB Entry DOI: 10.7270/Q2Z038MT
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50364602 (CHEMBL1951156) Show SMILES Cc1cccc(Oc2ccc(cc2)-c2nc(no2)-c2csc(CN3CC(C3)C(O)=O)c2)c1 Show InChI InChI=1S/C24H21N3O4S/c1-15-3-2-4-20(9-15)30-19-7-5-16(6-8-19)23-25-22(26-31-23)17-10-21(32-14-17)13-27-11-18(12-27)24(28)29/h2-10,14,18H,11-13H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding				Bioorg Med Chem Lett 22: 1788-92 (2012) Article DOI: 10.1016/j.bmcl.2011.12.019 BindingDB Entry DOI: 10.7270/Q2Z038MT
					More data for this Ligand-Target Pair