BDBM50164499 CHEMBL3797951

SMILES: CCCc1c(CC(C)C)onc1-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1

InChI Key: InChIKey=SDVLOQHJJPNZLT-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 = 50164499   

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))	BDBM50164499 (CHEMBL3797951) Show SMILES CCCc1c(CC(C)C)onc1-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H28N4O4/c1-4-5-18-19(10-14(2)3)30-25-20(18)22-24-21(26-31-22)16-8-6-15(7-9-16)11-27-12-17(13-27)23(28)29/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	850	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))	BDBM50164499 (CHEMBL3797951) Show SMILES CCCc1c(CC(C)C)onc1-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H28N4O4/c1-4-5-18-19(10-14(2)3)30-25-20(18)22-24-21(26-31-22)16-8-6-15(7-9-16)11-27-12-17(13-27)23(28)29/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.300	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