BDBM50027939 CHEMBL3344420

SMILES: N[C@@H](CO)COc1cc(Cl)c(cc1F)-c1nnc(s1)N1CCN(CC1)C(=O)c1cccc(Cl)c1

InChI Key: InChIKey=XZQXFCPKNQPJFO-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 = 50027939   

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))	BDBM50027939 (CHEMBL3344420) Show SMILES N[C@@H](CO)COc1cc(Cl)c(cc1F)-c1nnc(s1)N1CCN(CC1)C(=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C22H22Cl2FN5O3S/c23-14-3-1-2-13(8-14)21(32)29-4-6-30(7-5-29)22-28-27-20(34-22)16-9-18(25)19(10-17(16)24)33-12-15(26)11-31/h1-3,8-10,15,31H,4-7,11-12,26H2/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	380	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))	BDBM50027939 (CHEMBL3344420) Show SMILES N[C@@H](CO)COc1cc(Cl)c(cc1F)-c1nnc(s1)N1CCN(CC1)C(=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C22H22Cl2FN5O3S/c23-14-3-1-2-13(8-14)21(32)29-4-6-30(7-5-29)22-28-27-20(34-22)16-9-18(25)19(10-17(16)24)33-12-15(26)11-31/h1-3,8-10,15,31H,4-7,11-12,26H2/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	2.30	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