BDBM50165411 CHEMBL3799964

SMILES: CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(CN2CCCC2)c1

InChI Key: InChIKey=FYXWPURTCJZKBL-QHCPKHFHSA-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 = 50165411   

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))	BDBM50165411 (CHEMBL3799964) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(CN2CCCC2)c1 |r| Show InChI InChI=1S/C27H35N5O5/c1-4-19-11-20(9-17(2)25(19)36-16-23(34)13-28-24(35)15-33)26-30-27(37-31-26)21-10-18(3)29-22(12-21)14-32-7-5-6-8-32/h9-12,23,33-34H,4-8,13-16H2,1-3H3,(H,28,35)/t23-/m0/s1	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	>1.00E+4	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1PR3 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...				Eur J Med Chem 116: 222-238 (2016) BindingDB Entry DOI: 10.7270/Q2ST7RRN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50165411 (CHEMBL3799964) Show SMILES CCc1cc(cc(C)c1OC[C@@H](O)CNC(=O)CO)-c1noc(n1)-c1cc(C)nc(CN2CCCC2)c1 |r| Show InChI InChI=1S/C27H35N5O5/c1-4-19-11-20(9-17(2)25(19)36-16-23(34)13-28-24(35)15-33)26-30-27(37-31-26)21-10-18(3)29-22(12-21)14-32-7-5-6-8-32/h9-12,23,33-34H,4-8,13-16H2,1-3H3,(H,28,35)/t23-/m0/s1	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	95	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [...				Eur J Med Chem 116: 222-238 (2016) BindingDB Entry DOI: 10.7270/Q2ST7RRN
					More data for this Ligand-Target Pair