BDBM50402731 CHEMBL2207784

SMILES: OC(=O)C1CN(Cc2ccc(cc2)-c2nnc(s2)N(CC2CC2)C(=O)c2ccccc2F)C1

InChI Key: InChIKey=KBNHRFRZVKOQKB-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 = 50402731   

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))	BDBM50402731 (CHEMBL2207784) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2nnc(s2)N(CC2CC2)C(=O)c2ccccc2F)C1 Show InChI InChI=1S/C24H23FN4O3S/c25-20-4-2-1-3-19(20)22(30)29(12-16-5-6-16)24-27-26-21(33-24)17-9-7-15(8-10-17)11-28-13-18(14-28)23(31)32/h1-4,7-10,16,18H,5-6,11-14H2,(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at S1P3 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 22: 7672-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.110 BindingDB Entry DOI: 10.7270/Q21837PP
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50402731 (CHEMBL2207784) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2nnc(s2)N(CC2CC2)C(=O)c2ccccc2F)C1 Show InChI InChI=1S/C24H23FN4O3S/c25-20-4-2-1-3-19(20)22(30)29(12-16-5-6-16)24-27-26-21(33-24)17-9-7-15(8-10-17)11-28-13-18(14-28)23(31)32/h1-4,7-10,16,18H,5-6,11-14H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 22: 7672-6 (2012) Article DOI: 10.1016/j.bmcl.2012.09.110 BindingDB Entry DOI: 10.7270/Q21837PP
					More data for this Ligand-Target Pair