BDBM50250612 CHEMBL4059628

SMILES: CCCc1ccc(COc2cc3CCC(CN4CC(C4)C(O)=O)=C(C)c3cc2C)c(OC)c1

InChI Key: InChIKey=FZQLQYZFOIAEPU-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 = 50250612   

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))	BDBM50250612 (CHEMBL4059628) Show SMILES CCCc1ccc(COc2cc3CCC(CN4CC(C4)C(O)=O)=C(C)c3cc2C)c(OC)c1 |t:23| Show InChI InChI=1S/C28H35NO4/c1-5-6-20-7-8-23(27(12-20)32-4)17-33-26-13-21-9-10-22(19(3)25(21)11-18(26)2)14-29-15-24(16-29)28(30)31/h7-8,11-13,24H,5-6,9-10,14-17H2,1-4H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	540	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by E...				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50250612 (CHEMBL4059628) Show SMILES CCCc1ccc(COc2cc3CCC(CN4CC(C4)C(O)=O)=C(C)c3cc2C)c(OC)c1 |t:23| Show InChI InChI=1S/C28H35NO4/c1-5-6-20-7-8-23(27(12-20)32-4)17-33-26-13-21-9-10-22(19(3)25(21)11-18(26)2)14-29-15-24(16-29)28(30)31/h7-8,11-13,24H,5-6,9-10,14-17H2,1-4H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P3 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair