BDBM50165379 CHEMBL3799718

SMILES: CCN(C)Cc1ccc(cc1CC)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1

InChI Key: InChIKey=LGIXQTBLMJJEIM-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 = 50165379   

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))	BDBM50165379 (CHEMBL3799718) Show SMILES CCN(C)Cc1ccc(cc1CC)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C28H38N4O5/c1-6-19-12-21(9-10-22(19)15-32(5)8-3)28-30-27(31-37-28)23-11-18(4)26(20(7-2)13-23)36-17-24(34)14-29-25(35)16-33/h9-13,24,33-34H,6-8,14-17H2,1-5H3,(H,29,35)/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	100	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))	BDBM50165379 (CHEMBL3799718) Show SMILES CCN(C)Cc1ccc(cc1CC)-c1nc(no1)-c1cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c1 |r| Show InChI InChI=1S/C28H38N4O5/c1-6-19-12-21(9-10-22(19)15-32(5)8-3)28-30-27(31-37-28)23-11-18(4)26(20(7-2)13-23)36-17-24(34)14-29-25(35)16-33/h9-13,24,33-34H,6-8,14-17H2,1-5H3,(H,29,35)/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	1	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