BDBM50384695 CHEMBL2037129

SMILES: Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(NCCC(O)=O)cc12

InChI Key: InChIKey=BVFNSOHLHNYADB-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 = 50384695   

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))	BDBM50384695 (CHEMBL2037129) Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(NCCC(O)=O)cc12 Show InChI InChI=1S/C27H22F3N3O4/c1-33-15-21(25(36)20-10-7-17(14-23(20)33)31-12-11-24(34)35)26(37)32-18-8-9-19(16-5-3-2-4-6-16)22(13-18)27(28,29)30/h2-10,13-15,31H,11-12H2,1H3,(H,32,37)(H,34,35)	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	>2.50E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO cells coexpressing Gq/i5 G-protein assessed as Ca2+ mobilization after 60 to 90 mins by FLIP...				ACS Med Chem Lett 3: 74-78 (2012) Article DOI: 10.1021/ml200252b BindingDB Entry DOI: 10.7270/Q2222VTS
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50384695 (CHEMBL2037129) Show SMILES Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(NCCC(O)=O)cc12 Show InChI InChI=1S/C27H22F3N3O4/c1-33-15-21(25(36)20-10-7-17(14-23(20)33)31-12-11-24(34)35)26(37)32-18-8-9-19(16-5-3-2-4-6-16)22(13-18)27(28,29)30/h2-10,13-15,31H,11-12H2,1H3,(H,32,37)(H,34,35)	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	150	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr				ACS Med Chem Lett 3: 74-78 (2012) Article DOI: 10.1021/ml200252b BindingDB Entry DOI: 10.7270/Q2222VTS
					More data for this Ligand-Target Pair