BDBM50164503 CHEMBL3800257

SMILES: CCCc1c(noc1-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1)-c1ccccc1

InChI Key: InChIKey=BWKUVASDAJWATN-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 = 50164503   

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))	BDBM50164503 (CHEMBL3800257) Show SMILES CCCc1c(noc1-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C25H24N4O4/c1-2-6-20-21(17-7-4-3-5-8-17)27-32-22(20)24-26-23(28-33-24)18-11-9-16(10-12-18)13-29-14-19(15-29)25(30)31/h3-5,7-12,19H,2,6,13-15H2,1H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay				J Med Chem 59: 2820-40 (2016) BindingDB Entry DOI: 10.7270/Q2HH6N0K
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50164503 (CHEMBL3800257) Show SMILES CCCc1c(noc1-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C25H24N4O4/c1-2-6-20-21(17-7-4-3-5-8-17)27-32-22(20)24-26-23(28-33-24)18-11-9-16(10-12-18)13-29-14-19(15-29)25(30)31/h3-5,7-12,19H,2,6,13-15H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	0.440	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay				J Med Chem 59: 2820-40 (2016) BindingDB Entry DOI: 10.7270/Q2HH6N0K
					More data for this Ligand-Target Pair