Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50041983'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sphingosine 1-phosphate receptor 1 (Mus musculus (Mouse))	BDBM50041983 (CHEMBL3359523) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F |r| Show InChI InChI=1S/C24H23ClF3NO4/c1-13(2)33-20-6-3-14(9-18(20)24(26,27)28)12-32-16-4-5-19-17(11-16)22(25)23-15(10-21(30)31)7-8-29(19)23/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3,(H,30,31)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0640	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at mouse 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 (Rattus norvegicus)	BDBM50041983 (CHEMBL3359523) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F |r| Show InChI InChI=1S/C24H23ClF3NO4/c1-13(2)33-20-6-3-14(9-18(20)24(26,27)28)12-32-16-4-5-19-17(11-16)22(25)23-15(10-21(30)31)7-8-29(19)23/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3,(H,30,31)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0500	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at rat 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))	BDBM50041983 (CHEMBL3359523) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F |r| Show InChI InChI=1S/C24H23ClF3NO4/c1-13(2)33-20-6-3-14(9-18(20)24(26,27)28)12-32-16-4-5-19-17(11-16)22(25)23-15(10-21(30)31)7-8-29(19)23/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3,(H,30,31)/t15-/m1/s1	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	0.0210	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 (Macaca mulatta)	BDBM50041983 (CHEMBL3359523) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F |r| Show InChI InChI=1S/C24H23ClF3NO4/c1-13(2)33-20-6-3-14(9-18(20)24(26,27)28)12-32-16-4-5-19-17(11-16)22(25)23-15(10-21(30)31)7-8-29(19)23/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3,(H,30,31)/t15-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0580	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at monkey 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))	BDBM50041983 (CHEMBL3359523) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F |r| Show InChI InChI=1S/C24H23ClF3NO4/c1-13(2)33-20-6-3-14(9-18(20)24(26,27)28)12-32-16-4-5-19-17(11-16)22(25)23-15(10-21(30)31)7-8-29(19)23/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3,(H,30,31)/t15-/m1/s1	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	0.620	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 (Canis lupus familiaris)	BDBM50041983 (CHEMBL3359523) Show SMILES CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F |r| Show InChI InChI=1S/C24H23ClF3NO4/c1-13(2)33-20-6-3-14(9-18(20)24(26,27)28)12-32-16-4-5-19-17(11-16)22(25)23-15(10-21(30)31)7-8-29(19)23/h3-6,9,11,13,15H,7-8,10,12H2,1-2H3,(H,30,31)/t15-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0490	n/a	n/a	n/a	n/a
Arena Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at dog 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