BDBM50034564 CHEMBL3359848

SMILES: CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2C(CC(O)=O)NCCc12

InChI Key: InChIKey=NDRMLAKOSVJASB-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 = 50034564   

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))	BDBM50034564 (CHEMBL3359848) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2C(CC(O)=O)NCCc12 Show InChI InChI=1S/C22H22ClN3O4/c1-12(2)29-19-7-6-13(10-17(19)23)22-25-21(26-30-22)16-5-3-4-15-14(16)8-9-24-18(15)11-20(27)28/h3-7,10,12,18,24H,8-9,11H2,1-2H3,(H,27,28)	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	20	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins				J Med Chem 57: 10424-42 (2014) Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50034564 (CHEMBL3359848) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2C(CC(O)=O)NCCc12 Show InChI InChI=1S/C22H22ClN3O4/c1-12(2)29-19-7-6-13(10-17(19)23)22-25-21(26-30-22)16-5-3-4-15-14(16)8-9-24-18(15)11-20(27)28/h3-7,10,12,18,24H,8-9,11H2,1-2H3,(H,27,28)	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	5.01E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins				J Med Chem 57: 10424-42 (2014) Article DOI: 10.1021/jm5010336 BindingDB Entry DOI: 10.7270/Q2DF6SSX
					More data for this Ligand-Target Pair