BDBM50027943 CHEMBL3344424

SMILES: N[C@@H](CO)COc1c(Cl)cc(cc1Cl)-c1nc(no1)N1CCN(CC1)C(=O)C1CCCC1

InChI Key: InChIKey=HECRXSHZABEMJP-HNNXBMFYSA-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 = 50027943   

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))	BDBM50027943 (CHEMBL3344424) Show SMILES N[C@@H](CO)COc1c(Cl)cc(cc1Cl)-c1nc(no1)N1CCN(CC1)C(=O)C1CCCC1 |r| Show InChI InChI=1S/C21H27Cl2N5O4/c22-16-9-14(10-17(23)18(16)31-12-15(24)11-29)19-25-21(26-32-19)28-7-5-27(6-8-28)20(30)13-3-1-2-4-13/h9-10,13,15,29H,1-8,11-12,24H2/t15-/m0/s1	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	>1.00E+4	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in human EDG3-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay				Bioorg Med Chem Lett 24: 4807-11 (2014) Article DOI: 10.1016/j.bmcl.2014.09.003 BindingDB Entry DOI: 10.7270/Q28C9XT7
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50027943 (CHEMBL3344424) Show SMILES N[C@@H](CO)COc1c(Cl)cc(cc1Cl)-c1nc(no1)N1CCN(CC1)C(=O)C1CCCC1 |r| Show InChI InChI=1S/C21H27Cl2N5O4/c22-16-9-14(10-17(23)18(16)31-12-15(24)11-29)19-25-21(26-32-19)28-7-5-27(6-8-28)20(30)13-3-1-2-4-13/h9-10,13,15,29H,1-8,11-12,24H2/t15-/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	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay				Bioorg Med Chem Lett 24: 4807-11 (2014) Article DOI: 10.1016/j.bmcl.2014.09.003 BindingDB Entry DOI: 10.7270/Q28C9XT7
					More data for this Ligand-Target Pair