BDBM50149564 CHEMBL3769584

SMILES: CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1cc2CN(CCC(O)=O)CCc2n1

InChI Key: InChIKey=JQULLGPZODCAFG-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 = 50149564   

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))	BDBM50149564 (CHEMBL3769584) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1cc2CN(CCC(O)=O)CCc2n1 Show InChI InChI=1S/C20H22ClN5O3S/c1-12(2)29-17-4-3-13(9-15(17)21)19-22-23-20(30-19)26-11-14-10-25(8-6-18(27)28)7-5-16(14)24-26/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,27,28)	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	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))	BDBM50149564 (CHEMBL3769584) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1cc2CN(CCC(O)=O)CCc2n1 Show InChI InChI=1S/C20H22ClN5O3S/c1-12(2)29-17-4-3-13(9-15(17)21)19-22-23-20(30-19)26-11-14-10-25(8-6-18(27)28)7-5-16(14)24-26/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,27,28)	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))	BDBM50149564 (CHEMBL3769584) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1cc2CN(CCC(O)=O)CCc2n1 Show InChI InChI=1S/C20H22ClN5O3S/c1-12(2)29-17-4-3-13(9-15(17)21)19-22-23-20(30-19)26-11-14-10-25(8-6-18(27)28)7-5-16(14)24-26/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,27,28)	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	13	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