BDBM50165412 CHEMBL3799148

SMILES: CCCCN(C)Cc1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1

InChI Key: InChIKey=LUBIYCVWHMWRDG-DEOSSOPVSA-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 = 50165412   

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))	BDBM50165412 (CHEMBL3799148) Show SMILES CCCCN(C)Cc1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C28H39N5O5/c1-6-8-9-33(5)15-23-13-22(11-19(4)30-23)28-31-27(32-38-28)21-10-18(3)26(20(7-2)12-21)37-17-24(35)14-29-25(36)16-34/h10-13,24,34-35H,6-9,14-17H2,1-5H3,(H,29,36)/t24-/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	1.50E+3	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))	BDBM50165412 (CHEMBL3799148) Show SMILES CCCCN(C)Cc1cc(cc(C)n1)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C28H39N5O5/c1-6-8-9-33(5)15-23-13-22(11-19(4)30-23)28-31-27(32-38-28)21-10-18(3)26(20(7-2)12-21)37-17-24(35)14-29-25(36)16-34/h10-13,24,34-35H,6-9,14-17H2,1-5H3,(H,29,36)/t24-/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	4.30	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