BDBM50041979 CHEMBL3359520

SMILES: CC(C)Oc1ccc(COc2ccc3n4CCC(CC(O)=O)c4cc3c2)cc1C#N

InChI Key: InChIKey=PLHKTXYJCYEKDM-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50041979   

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))	BDBM50041979 (CHEMBL3359520) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCC(CC(O)=O)c4cc3c2)cc1C#N Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-23-6-3-16(9-19(23)13-25)14-29-20-4-5-21-18(10-20)11-22-17(12-24(27)28)7-8-26(21)22/h3-6,9-11,15,17H,7-8,12,14H2,1-2H3,(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	160	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor by beta-arrestin recruitment assay				ACS Med Chem Lett 5: 1334-9 (2014) Article DOI: 10.1021/ml500422m BindingDB Entry DOI: 10.7270/Q2XK8H6S
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50041979 (CHEMBL3359520) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCC(CC(O)=O)c4cc3c2)cc1C#N Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-23-6-3-16(9-19(23)13-25)14-29-20-4-5-21-18(10-20)11-22-17(12-24(27)28)7-8-26(21)22/h3-6,9-11,15,17H,7-8,12,14H2,1-2H3,(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	1.5	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay				ACS Med Chem Lett 5: 1334-9 (2014) Article DOI: 10.1021/ml500422m BindingDB Entry DOI: 10.7270/Q2XK8H6S
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50041979 (CHEMBL3359520) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCC(CC(O)=O)c4cc3c2)cc1C#N Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-23-6-3-16(9-19(23)13-25)14-29-20-4-5-21-18(10-20)11-22-17(12-24(27)28)7-8-26(21)22/h3-6,9-11,15,17H,7-8,12,14H2,1-2H3,(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	0.150	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay				ACS Med Chem Lett 5: 1334-9 (2014) Article DOI: 10.1021/ml500422m BindingDB Entry DOI: 10.7270/Q2XK8H6S
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50041979 (CHEMBL3359520) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCC(CC(O)=O)c4cc3c2)cc1C#N Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-23-6-3-16(9-19(23)13-25)14-29-20-4-5-21-18(10-20)11-22-17(12-24(27)28)7-8-26(21)22/h3-6,9-11,15,17H,7-8,12,14H2,1-2H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	410	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P5 receptor by beta-arrestin recruitment assay				ACS Med Chem Lett 5: 1334-9 (2014) Article DOI: 10.1021/ml500422m BindingDB Entry DOI: 10.7270/Q2XK8H6S
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50041979 (CHEMBL3359520) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCC(CC(O)=O)c4cc3c2)cc1C#N Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-23-6-3-16(9-19(23)13-25)14-29-20-4-5-21-18(10-20)11-22-17(12-24(27)28)7-8-26(21)22/h3-6,9-11,15,17H,7-8,12,14H2,1-2H3,(H,27,28)	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	>1.00E+4	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P4 receptor by beta-arrestin recruitment assay				ACS Med Chem Lett 5: 1334-9 (2014) Article DOI: 10.1021/ml500422m BindingDB Entry DOI: 10.7270/Q2XK8H6S
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50041979 (CHEMBL3359520) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCC(CC(O)=O)c4cc3c2)cc1C#N Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-23-6-3-16(9-19(23)13-25)14-29-20-4-5-21-18(10-20)11-22-17(12-24(27)28)7-8-26(21)22/h3-6,9-11,15,17H,7-8,12,14H2,1-2H3,(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	>1.00E+4	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor by beta-arrestin recruitment assay				ACS Med Chem Lett 5: 1334-9 (2014) Article DOI: 10.1021/ml500422m BindingDB Entry DOI: 10.7270/Q2XK8H6S
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50041979 (CHEMBL3359520) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCC(CC(O)=O)c4cc3c2)cc1C#N Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-23-6-3-16(9-19(23)13-25)14-29-20-4-5-21-18(10-20)11-22-17(12-24(27)28)7-8-26(21)22/h3-6,9-11,15,17H,7-8,12,14H2,1-2H3,(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	>1.00E+4	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P2 receptor by beta-arrestin recruitment assay				ACS Med Chem Lett 5: 1334-9 (2014) Article DOI: 10.1021/ml500422m BindingDB Entry DOI: 10.7270/Q2XK8H6S
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50041979 (CHEMBL3359520) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCC(CC(O)=O)c4cc3c2)cc1C#N Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-23-6-3-16(9-19(23)13-25)14-29-20-4-5-21-18(10-20)11-22-17(12-24(27)28)7-8-26(21)22/h3-6,9-11,15,17H,7-8,12,14H2,1-2H3,(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	11	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor by beta-arrestin recruitment assay				ACS Med Chem Lett 5: 1334-9 (2014) Article DOI: 10.1021/ml500422m BindingDB Entry DOI: 10.7270/Q2XK8H6S
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50041979 (CHEMBL3359520) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCC(CC(O)=O)c4cc3c2)cc1C#N Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-23-6-3-16(9-19(23)13-25)14-29-20-4-5-21-18(10-20)11-22-17(12-24(27)28)7-8-26(21)22/h3-6,9-11,15,17H,7-8,12,14H2,1-2H3,(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	0.130	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay				ACS Med Chem Lett 5: 1334-9 (2014) Article DOI: 10.1021/ml500422m BindingDB Entry DOI: 10.7270/Q2XK8H6S
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50041979 (CHEMBL3359520) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCC(CC(O)=O)c4cc3c2)cc1C#N Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-23-6-3-16(9-19(23)13-25)14-29-20-4-5-21-18(10-20)11-22-17(12-24(27)28)7-8-26(21)22/h3-6,9-11,15,17H,7-8,12,14H2,1-2H3,(H,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P5 receptor by beta-arrestin recruitment assay				ACS Med Chem Lett 5: 1334-9 (2014) Article DOI: 10.1021/ml500422m BindingDB Entry DOI: 10.7270/Q2XK8H6S
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50041979 (CHEMBL3359520) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCC(CC(O)=O)c4cc3c2)cc1C#N Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-23-6-3-16(9-19(23)13-25)14-29-20-4-5-21-18(10-20)11-22-17(12-24(27)28)7-8-26(21)22/h3-6,9-11,15,17H,7-8,12,14H2,1-2H3,(H,27,28)	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	>1.00E+4	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P4 receptor by beta-arrestin recruitment assay				ACS Med Chem Lett 5: 1334-9 (2014) Article DOI: 10.1021/ml500422m BindingDB Entry DOI: 10.7270/Q2XK8H6S
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50041979 (CHEMBL3359520) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCC(CC(O)=O)c4cc3c2)cc1C#N Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-23-6-3-16(9-19(23)13-25)14-29-20-4-5-21-18(10-20)11-22-17(12-24(27)28)7-8-26(21)22/h3-6,9-11,15,17H,7-8,12,14H2,1-2H3,(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	>1.00E+4	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor by beta-arrestin recruitment assay				ACS Med Chem Lett 5: 1334-9 (2014) Article DOI: 10.1021/ml500422m BindingDB Entry DOI: 10.7270/Q2XK8H6S
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50041979 (CHEMBL3359520) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CCC(CC(O)=O)c4cc3c2)cc1C#N Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-23-6-3-16(9-19(23)13-25)14-29-20-4-5-21-18(10-20)11-22-17(12-24(27)28)7-8-26(21)22/h3-6,9-11,15,17H,7-8,12,14H2,1-2H3,(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	>1.00E+4	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at human S1P2 receptor by beta-arrestin recruitment assay				ACS Med Chem Lett 5: 1334-9 (2014) Article DOI: 10.1021/ml500422m BindingDB Entry DOI: 10.7270/Q2XK8H6S
					More data for this Ligand-Target Pair