BDBM50250627 CHEMBL4065407

SMILES: CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCC3CCCc4ccccc34)ccc12

InChI Key: InChIKey=WSBVZMDUDHTIBO-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 = 50250627   

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))	BDBM50250627 (CHEMBL4065407) Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCC3CCCc4ccccc34)ccc12 |c:1| Show InChI InChI=1S/C28H33NO3/c1-19-23(16-29-17-24(18-29)28(30)31)10-9-22-15-25(11-12-26(19)22)32-14-13-21-7-4-6-20-5-2-3-8-27(20)21/h2-3,5,8,11-12,15,21,24H,4,6-7,9-10,13-14,16-18H2,1H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50250627 (CHEMBL4065407) Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCC3CCCc4ccccc34)ccc12 |c:1| Show InChI InChI=1S/C28H33NO3/c1-19-23(16-29-17-24(18-29)28(30)31)10-9-22-15-25(11-12-26(19)22)32-14-13-21-7-4-6-20-5-2-3-8-27(20)21/h2-3,5,8,11-12,15,21,24H,4,6-7,9-10,13-14,16-18H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	97	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 increase in S1P-stimulated calcium influx preincubated for 5 mins follo...				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