BDBM50361036 CHEMBL1935575

SMILES: CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3ccccc3)ccc12

InChI Key: InChIKey=JJNOYMXHHIWGFI-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50361036   

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))	BDBM50361036 (CHEMBL1935575) Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3ccccc3)ccc12 |c:1| Show InChI InChI=1S/C25H29NO3/c1-18-21(15-26-16-22(17-26)25(27)28)10-9-20-14-23(11-12-24(18)20)29-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,11-12,14,22H,5,8-10,13,15-17H2,1H3,(H,27,28)	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	3	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 cells assessed as induction of intracellular calcium level				Bioorg Med Chem Lett 22: 144-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.048 BindingDB Entry DOI: 10.7270/Q28G8M46
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50361036 (CHEMBL1935575) Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3ccccc3)ccc12 |c:1| Show InChI InChI=1S/C25H29NO3/c1-18-21(15-26-16-22(17-26)25(27)28)10-9-20-14-23(11-12-24(18)20)29-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,11-12,14,22H,5,8-10,13,15-17H2,1H3,(H,27,28)	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	5.00E+3	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))	BDBM50361036 (CHEMBL1935575) Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3ccccc3)ccc12 |c:1| Show InChI InChI=1S/C25H29NO3/c1-18-21(15-26-16-22(17-26)25(27)28)10-9-20-14-23(11-12-24(18)20)29-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,11-12,14,22H,5,8-10,13,15-17H2,1H3,(H,27,28)	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	3	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))	BDBM50361036 (CHEMBL1935575) Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCCCc3ccccc3)ccc12 |c:1| Show InChI InChI=1S/C25H29NO3/c1-18-21(15-26-16-22(17-26)25(27)28)10-9-20-14-23(11-12-24(18)20)29-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,11-12,14,22H,5,8-10,13,15-17H2,1H3,(H,27,28)	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	5.00E+3	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO cells assessed as induction of intracellular calcium level				Bioorg Med Chem Lett 22: 144-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.048 BindingDB Entry DOI: 10.7270/Q28G8M46
					More data for this Ligand-Target Pair