Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50046465   

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
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50113978 (CHEMBL3605543) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccncc1 |r| Show InChI InChI=1S/C17H17F3N4O2S/c1-3-24-15-10-12(17(18,19)20)4-5-14(15)22-16(24)11(2)23-27(25,26)13-6-8-21-9-7-13/h4-11,23H,3H2,1-2H3/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50114058 (CHEMBL3605528) Show SMILES CCn1c(nc2cnccc12)C(C)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H17ClN4O2S/c1-3-21-15-8-9-18-10-14(15)19-16(21)11(2)20-24(22,23)13-6-4-12(17)5-7-13/h4-11,20H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50113995 (CHEMBL3605542) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1cccnc1 |r| Show InChI InChI=1S/C17H17F3N4O2S/c1-3-24-15-9-12(17(18,19)20)6-7-14(15)22-16(24)11(2)23-27(25,26)13-5-4-8-21-10-13/h4-11,23H,3H2,1-2H3/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50113995 (CHEMBL3605542) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1cccnc1 |r| Show InChI InChI=1S/C17H17F3N4O2S/c1-3-24-15-9-12(17(18,19)20)6-7-14(15)22-16(24)11(2)23-27(25,26)13-5-4-8-21-10-13/h4-11,23H,3H2,1-2H3/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50114058 (CHEMBL3605528) Show SMILES CCn1c(nc2cnccc12)C(C)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H17ClN4O2S/c1-3-21-15-8-9-18-10-14(15)19-16(21)11(2)20-24(22,23)13-6-4-12(17)5-7-13/h4-11,20H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50113979 (CHEMBL3605558) Show SMILES CCn1c(nc2cnc(cc12)C1CC1)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C19H20N6O2S/c1-3-25-18-8-16(13-4-5-13)22-11-17(18)23-19(25)12(2)24-28(26,27)15-7-6-14(9-20)21-10-15/h6-8,10-13,24H,3-5H2,1-2H3/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50113980 (CHEMBL3605557) Show SMILES CCn1c(nc2cnc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C17H15F3N6O2S/c1-3-26-14-6-15(17(18,19)20)23-9-13(14)24-16(26)10(2)25-29(27,28)12-5-4-11(7-21)22-8-12/h4-6,8-10,25H,3H2,1-2H3/t10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50113980 (CHEMBL3605557) Show SMILES CCn1c(nc2cnc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C17H15F3N6O2S/c1-3-26-14-6-15(17(18,19)20)23-9-13(14)24-16(26)10(2)25-29(27,28)12-5-4-11(7-21)22-8-12/h4-6,8-10,25H,3H2,1-2H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50113980 (CHEMBL3605557) Show SMILES CCn1c(nc2cnc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C17H15F3N6O2S/c1-3-26-14-6-15(17(18,19)20)23-9-13(14)24-16(26)10(2)25-29(27,28)12-5-4-11(7-21)22-8-12/h4-6,8-10,25H,3H2,1-2H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50113979 (CHEMBL3605558) Show SMILES CCn1c(nc2cnc(cc12)C1CC1)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C19H20N6O2S/c1-3-25-18-8-16(13-4-5-13)22-11-17(18)23-19(25)12(2)24-28(26,27)15-7-6-14(9-20)21-10-15/h6-8,10-13,24H,3-5H2,1-2H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50113979 (CHEMBL3605558) Show SMILES CCn1c(nc2cnc(cc12)C1CC1)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C19H20N6O2S/c1-3-25-18-8-16(13-4-5-13)22-11-17(18)23-19(25)12(2)24-28(26,27)15-7-6-14(9-20)21-10-15/h6-8,10-13,24H,3-5H2,1-2H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50113979 (CHEMBL3605558) Show SMILES CCn1c(nc2cnc(cc12)C1CC1)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C19H20N6O2S/c1-3-25-18-8-16(13-4-5-13)22-11-17(18)23-19(25)12(2)24-28(26,27)15-7-6-14(9-20)21-10-15/h6-8,10-13,24H,3-5H2,1-2H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50113980 (CHEMBL3605557) Show SMILES CCn1c(nc2cnc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C17H15F3N6O2S/c1-3-26-14-6-15(17(18,19)20)23-9-13(14)24-16(26)10(2)25-29(27,28)12-5-4-11(7-21)22-8-12/h4-6,8-10,25H,3H2,1-2H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50113979 (CHEMBL3605558) Show SMILES CCn1c(nc2cnc(cc12)C1CC1)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C19H20N6O2S/c1-3-25-18-8-16(13-4-5-13)22-11-17(18)23-19(25)12(2)24-28(26,27)15-7-6-14(9-20)21-10-15/h6-8,10-13,24H,3-5H2,1-2H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50113980 (CHEMBL3605557) Show SMILES CCn1c(nc2cnc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C17H15F3N6O2S/c1-3-26-14-6-15(17(18,19)20)23-9-13(14)24-16(26)10(2)25-29(27,28)12-5-4-11(7-21)22-8-12/h4-6,8-10,25H,3H2,1-2H3/t10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50113979 (CHEMBL3605558) Show SMILES CCn1c(nc2cnc(cc12)C1CC1)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C19H20N6O2S/c1-3-25-18-8-16(13-4-5-13)22-11-17(18)23-19(25)12(2)24-28(26,27)15-7-6-14(9-20)21-10-15/h6-8,10-13,24H,3-5H2,1-2H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A5 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50113980 (CHEMBL3605557) Show SMILES CCn1c(nc2cnc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C17H15F3N6O2S/c1-3-26-14-6-15(17(18,19)20)23-9-13(14)24-16(26)10(2)25-29(27,28)12-5-4-11(7-21)22-8-12/h4-6,8-10,25H,3H2,1-2H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes incubated for 5 mins in presence of NADPH and specific substrates by LC/MS/MS method				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50113980 (CHEMBL3605557) Show SMILES CCn1c(nc2cnc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C17H15F3N6O2S/c1-3-26-14-6-15(17(18,19)20)23-9-13(14)24-16(26)10(2)25-29(27,28)12-5-4-11(7-21)22-8-12/h4-6,8-10,25H,3H2,1-2H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50113979 (CHEMBL3605558) Show SMILES CCn1c(nc2cnc(cc12)C1CC1)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C19H20N6O2S/c1-3-25-18-8-16(13-4-5-13)22-11-17(18)23-19(25)12(2)24-28(26,27)15-7-6-14(9-20)21-10-15/h6-8,10-13,24H,3-5H2,1-2H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50114061 (CHEMBL3605531) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)C1CCCC1 |r| Show InChI InChI=1S/C17H22F3N3O2S/c1-3-23-15-10-12(17(18,19)20)8-9-14(15)21-16(23)11(2)22-26(24,25)13-6-4-5-7-13/h8-11,13,22H,3-7H2,1-2H3/t11-/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	1.80E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50114062 (CHEMBL3605532) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C18H18F3N3O2S/c1-3-24-16-11-13(18(19,20)21)9-10-15(16)22-17(24)12(2)23-27(25,26)14-7-5-4-6-8-14/h4-12,23H,3H2,1-2H3/t12-/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	8	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50114063 (CHEMBL3605533) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H17F4N3O2S/c1-3-25-16-10-12(18(20,21)22)4-9-15(16)23-17(25)11(2)24-28(26,27)14-7-5-13(19)6-8-14/h4-11,24H,3H2,1-2H3/t11-/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	7	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50114064 (CHEMBL3605534) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C19H20F3N3O2S/c1-4-25-17-11-14(19(20,21)22)7-10-16(17)23-18(25)13(3)24-28(26,27)15-8-5-12(2)6-9-15/h5-11,13,24H,4H2,1-3H3/t13-/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	24	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50114065 (CHEMBL3605535) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C19H17F3N4O2S/c1-3-26-17-10-14(19(20,21)22)6-9-16(17)24-18(26)12(2)25-29(27,28)15-7-4-13(11-23)5-8-15/h4-10,12,25H,3H2,1-2H3/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50114066 (CHEMBL3605536) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C18H17ClF3N3O2S/c1-3-25-16-9-12(18(20,21)22)7-8-15(16)23-17(25)11(2)24-28(26,27)14-6-4-5-13(19)10-14/h4-11,24H,3H2,1-2H3/t11-/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	27	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50114067 (CHEMBL3605537) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1cccc(c1)C#N |r| Show InChI InChI=1S/C19H17F3N4O2S/c1-3-26-17-10-14(19(20,21)22)7-8-16(17)24-18(26)12(2)25-29(27,28)15-6-4-5-13(9-15)11-23/h4-10,12,25H,3H2,1-2H3/t12-/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	57	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50114068 (CHEMBL3605538) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(NC(C)=O)c(C)c1 |r| Show InChI InChI=1S/C21H23F3N4O3S/c1-5-28-19-11-15(21(22,23)24)6-8-18(19)26-20(28)13(3)27-32(30,31)16-7-9-17(12(2)10-16)25-14(4)29/h6-11,13,27H,5H2,1-4H3,(H,25,29)/t13-/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	1.24E+4	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50114069 (CHEMBL3605539) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(CC(C)C)cc1 |r| Show InChI InChI=1S/C22H26F3N3O2S/c1-5-28-20-13-17(22(23,24)25)8-11-19(20)26-21(28)15(4)27-31(29,30)18-9-6-16(7-10-18)12-14(2)3/h6-11,13-15,27H,5,12H2,1-4H3/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	1.80E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50114070 (CHEMBL3605540) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1c(F)cc(F)cc1F |r| Show InChI InChI=1S/C18H15F6N3O2S/c1-3-27-15-6-10(18(22,23)24)4-5-14(15)25-17(27)9(2)26-30(28,29)16-12(20)7-11(19)8-13(16)21/h4-9,26H,3H2,1-2H3/t9-/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	240	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113978 (CHEMBL3605543) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccncc1 |r| Show InChI InChI=1S/C17H17F3N4O2S/c1-3-24-15-10-12(17(18,19)20)4-5-14(15)22-16(24)11(2)23-27(25,26)13-6-8-21-9-7-13/h4-11,23H,3H2,1-2H3/t11-/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	26	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113981 (CHEMBL3605544) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1cn(C)nc1C |r| Show InChI InChI=1S/C17H20F3N5O2S/c1-5-25-14-8-12(17(18,19)20)6-7-13(14)21-16(25)11(3)23-28(26,27)15-9-24(4)22-10(15)2/h6-9,11,23H,5H2,1-4H3/t11-/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	1.00E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113982 (CHEMBL3605545) Show SMILES CCCn1cc(c(C)n1)S(=O)(=O)N[C@H](C)c1nc2ccc(cc2n1CC)C(F)(F)F |r| Show InChI InChI=1S/C19H24F3N5O2S/c1-5-9-26-11-17(12(3)24-26)30(28,29)25-13(4)18-23-15-8-7-14(19(20,21)22)10-16(15)27(18)6-2/h7-8,10-11,13,25H,5-6,9H2,1-4H3/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	420	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113983 (CHEMBL3605546) Show SMILES CCn1cc(cn1)S(=O)(=O)N[C@H](C)c1nc2ccc(cc2n1CC)C(F)(F)F |r| Show InChI InChI=1S/C17H20F3N5O2S/c1-4-24-10-13(9-21-24)28(26,27)23-11(3)16-22-14-7-6-12(17(18,19)20)8-15(14)25(16)5-2/h6-11,23H,4-5H2,1-3H3/t11-/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	590	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113984 (CHEMBL3605547) Show SMILES CCn1ncc(c1C)S(=O)(=O)N[C@H](C)c1nc2ccc(cc2n1CC)C(F)(F)F |r| Show InChI InChI=1S/C18H22F3N5O2S/c1-5-25-15-9-13(18(19,20)21)7-8-14(15)23-17(25)11(3)24-29(27,28)16-10-22-26(6-2)12(16)4/h7-11,24H,5-6H2,1-4H3/t11-/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	430	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113985 (CHEMBL3605548) Show SMILES CCCn1ncc(c1C)S(=O)(=O)N[C@H](C)c1nc2ccc(cc2n1CC)C(F)(F)F |r| Show InChI InChI=1S/C19H24F3N5O2S/c1-5-9-27-13(4)17(11-23-27)30(28,29)25-12(3)18-24-15-8-7-14(19(20,21)22)10-16(15)26(18)6-2/h7-8,10-12,25H,5-6,9H2,1-4H3/t12-/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	800	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113986 (CHEMBL3605549) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1cnn(C(C)C)c1C |r| Show InChI InChI=1S/C19H24F3N5O2S/c1-6-26-16-9-14(19(20,21)22)7-8-15(16)24-18(26)12(4)25-30(28,29)17-10-23-27(11(2)3)13(17)5/h7-12,25H,6H2,1-5H3/t12-/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	1.10E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113987 (CHEMBL3605550) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1cn(C)c(C)n1 |r| Show InChI InChI=1S/C17H20F3N5O2S/c1-5-25-14-8-12(17(18,19)20)6-7-13(14)22-16(25)10(2)23-28(26,27)15-9-24(4)11(3)21-15/h6-10,23H,5H2,1-4H3/t10-/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	4.00E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113988 (CHEMBL3603858) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1cnc(C)n1C |r| Show InChI InChI=1S/C17H20F3N5O2S/c1-5-25-14-8-12(17(18,19)20)6-7-13(14)22-16(25)10(2)23-28(26,27)15-9-21-11(3)24(15)4/h6-10,23H,5H2,1-4H3/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	650	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113989 (CHEMBL3605551) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1cnc(NC(C)=O)s1 |r| Show InChI InChI=1S/C17H18F3N5O3S2/c1-4-25-13-7-11(17(18,19)20)5-6-12(13)23-15(25)9(2)24-30(27,28)14-8-21-16(29-14)22-10(3)26/h5-9,24H,4H2,1-3H3,(H,21,22,26)/t9-/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	2.20E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113990 (CHEMBL3605552) Show SMILES CCn1c(nc2cnccc12)[C@@H](C)NS(=O)(=O)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C17H17N5O2S/c1-3-22-16-8-9-19-11-15(16)20-17(22)12(2)21-25(23,24)14-6-4-13(10-18)5-7-14/h4-9,11-12,21H,3H2,1-2H3/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113991 (CHEMBL3605553) Show SMILES CCn1c(nc2cnc(OC)cc12)[C@@H](C)NS(=O)(=O)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C18H19N5O3S/c1-4-23-16-9-17(26-3)20-11-15(16)21-18(23)12(2)22-27(24,25)14-7-5-13(10-19)6-8-14/h5-9,11-12,22H,4H2,1-3H3/t12-/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	9	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113992 (CHEMBL3605554) Show SMILES CCn1c(nc2cnc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C18H16F3N5O2S/c1-3-26-15-8-16(18(19,20)21)23-10-14(15)24-17(26)11(2)25-29(27,28)13-6-4-12(9-22)5-7-13/h4-8,10-11,25H,3H2,1-2H3/t11-/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	3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113993 (CHEMBL3605555) Show SMILES CCn1c(nc2cnc(cc12)C1CC1)[C@@H](C)NS(=O)(=O)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C20H21N5O2S/c1-3-25-19-10-17(15-6-7-15)22-12-18(19)23-20(25)13(2)24-28(26,27)16-8-4-14(11-21)5-9-16/h4-5,8-10,12-13,15,24H,3,6-7H2,1-2H3/t13-/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	6	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113994 (CHEMBL3605556) Show SMILES CCn1c(nc2cnc(OC)cc12)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C17H18N6O3S/c1-4-23-15-7-16(26-3)20-10-14(15)21-17(23)11(2)22-27(24,25)13-6-5-12(8-18)19-9-13/h5-7,9-11,22H,4H2,1-3H3/t11-/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	28	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113980 (CHEMBL3605557) Show SMILES CCn1c(nc2cnc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C17H15F3N6O2S/c1-3-26-14-6-15(17(18,19)20)23-9-13(14)24-16(26)10(2)25-29(27,28)12-5-4-11(7-21)22-8-12/h4-6,8-10,25H,3H2,1-2H3/t10-/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	7	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113979 (CHEMBL3605558) Show SMILES CCn1c(nc2cnc(cc12)C1CC1)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C19H20N6O2S/c1-3-25-18-8-16(13-4-5-13)22-11-17(18)23-19(25)12(2)24-28(26,27)15-7-6-14(9-20)21-10-15/h6-8,10-13,24H,3-5H2,1-2H3/t12-/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	4	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113996 (CHEMBL3605541) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C17H17F3N4O2S/c1-3-24-14-10-12(17(18,19)20)7-8-13(14)22-16(24)11(2)23-27(25,26)15-6-4-5-9-21-15/h4-11,23H,3H2,1-2H3/t11-/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	9.20E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113995 (CHEMBL3605542) Show SMILES CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1cccnc1 |r| Show InChI InChI=1S/C17H17F3N4O2S/c1-3-24-15-9-12(17(18,19)20)6-7-14(15)22-16(24)11(2)23-27(25,26)13-5-4-8-21-10-13/h4-11,23H,3H2,1-2H3/t11-/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	30	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113997 (CHEMBL3605523) Show SMILES CCn1c(nc2cc(ccc12)N1CCOCC1)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H25ClN4O3S/c1-3-26-20-9-6-17(25-10-12-29-13-11-25)14-19(20)23-21(26)15(2)24-30(27,28)18-7-4-16(22)5-8-18/h4-9,14-15,24H,3,10-13H2,1-2H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50113998 (CHEMBL3605522) Show SMILES CCn1c(nc2ccc(CN(C)C)cc12)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H25ClN4O2S/c1-5-25-19-12-15(13-24(3)4)6-11-18(19)22-20(25)14(2)23-28(26,27)17-9-7-16(21)8-10-17/h6-12,14,23H,5,13H2,1-4H3/t14-/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	2.35E+4	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor transl...				J Med Chem 58: 7057-75 (2015) Article DOI: 10.1021/acs.jmedchem.5b01078 BindingDB Entry DOI: 10.7270/Q2Z89F6J
					More data for this Ligand-Target Pair

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