BDBM50149561 CHEMBL3770578

SMILES: CC(C)Oc1ccc(cc1C#N)-c1nnc(s1)-n1nc2CCNCc2c1C

InChI Key: InChIKey=OBSKVOBXRPKVLG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50149561   

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 1 (Homo sapiens (Human))	BDBM50149561 (CHEMBL3770578) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(s1)-n1nc2CCNCc2c1C Show InChI InChI=1S/C19H20N6OS/c1-11(2)26-17-5-4-13(8-14(17)9-20)18-22-23-19(27-18)25-12(3)15-10-21-7-6-16(15)24-25/h4-5,8,11,21H,6-7,10H2,1-3H3	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	63	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay				J Med Chem 59: 1003-20 (2016) BindingDB Entry DOI: 10.7270/Q2KP842C
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50149561 (CHEMBL3770578) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(s1)-n1nc2CCNCc2c1C Show InChI InChI=1S/C19H20N6OS/c1-11(2)26-17-5-4-13(8-14(17)9-20)18-22-23-19(27-18)25-12(3)15-10-21-7-6-16(15)24-25/h4-5,8,11,21H,6-7,10H2,1-3H3	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	<3.16E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in RBL cells by [35S]GTP-gammaS accumulation assay				J Med Chem 59: 1003-20 (2016) BindingDB Entry DOI: 10.7270/Q2KP842C
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50149561 (CHEMBL3770578) Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(s1)-n1nc2CCNCc2c1C Show InChI InChI=1S/C19H20N6OS/c1-11(2)26-17-5-4-13(8-14(17)9-20)18-22-23-19(27-18)25-12(3)15-10-21-7-6-16(15)24-25/h4-5,8,11,21H,6-7,10H2,1-3H3	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	100	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay				J Med Chem 59: 1003-20 (2016) BindingDB Entry DOI: 10.7270/Q2KP842C
					More data for this Ligand-Target Pair