Compile Data Set for Download or QSAR

Found 2010 hits with Last Name = 'stiefl' and Initial = 'n'   

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
Procathepsin L (Homo sapiens (Human))	BDBM50175214 ((2R,3R)-diethyl 1-((2S)-3-(azetidin-1-yl)-2-(tert-...) Show SMILES CCOC(=O)[C@H]1[C@@H](N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C(C)C)N1CCC1)C(=O)OCC Show InChI InChI=1S/C22H37N3O7/c1-8-30-19(27)16-17(20(28)31-9-2)25(16)18(26)14(23-21(29)32-22(5,6)7)15(13(3)4)24-11-10-12-24/h13-17H,8-12H2,1-7H3,(H,23,29)/t14-,15?,16+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibitory activity against cathepsin L				Bioorg Med Chem Lett 15: 5365-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.012 BindingDB Entry DOI: 10.7270/Q2XP74HX
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50175213 ((2S,3S)-dibenzyl 1-((S)-2-(tert-butoxycarbonyl)-2-...) Show SMILES CC(C)(C)OC(=O)N[C@@H](N1CCCCC1)C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C30H37N3O7/c1-30(2,3)40-29(37)31-25(32-17-11-6-12-18-32)26(34)33-23(27(35)38-19-21-13-7-4-8-14-21)24(33)28(36)39-20-22-15-9-5-10-16-22/h4-5,7-10,13-16,23-25H,6,11-12,17-20H2,1-3H3,(H,31,37)/t23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibitory activity against cathepsin L				Bioorg Med Chem Lett 15: 5365-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.012 BindingDB Entry DOI: 10.7270/Q2XP74HX
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127573 (US8791100, 71) Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(F)c(CN2CC(C2)C(O)=O)c1)C(F)(F)F |r| Show InChI InChI=1S/C20H19ClF4N2O2/c1-11-6-12(2-4-16(11)21)18(20(23,24)25)26-15-3-5-17(22)13(7-15)8-27-9-14(10-27)19(28)29/h2-7,14,18,26H,8-10H2,1H3,(H,28,29)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127572 (US8791100, 70) Show SMILES Cc1ccc(N[C@@H](c2ccc(Cl)c(C)c2)C(F)(F)F)cc1CN1CC(C1)C(O)=O |r| Show InChI InChI=1S/C21H22ClF3N2O2/c1-12-3-5-17(8-15(12)9-27-10-16(11-27)20(28)29)26-19(21(23,24)25)14-4-6-18(22)13(2)7-14/h3-8,16,19,26H,9-11H2,1-2H3,(H,28,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127560 (US8791100, 58) Show SMILES CC[C@@H](Nc1cc(CNCCC(O)=O)c(Cl)cn1)c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C19H23Cl2N3O2/c1-3-17(13-4-5-15(20)12(2)8-13)24-18-9-14(16(21)11-23-18)10-22-7-6-19(25)26/h4-5,8-9,11,17,22H,3,6-7,10H2,1-2H3,(H,23,24)(H,25,26)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127506 (US8791100, 4) Show SMILES CCC(Nc1ccc(C)c(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 Show InChI InChI=1S/C22H27ClN2O2/c1-4-21(16-6-8-20(23)15(3)9-16)24-19-7-5-14(2)17(10-19)11-25-12-18(13-25)22(26)27/h5-10,18,21,24H,4,11-13H2,1-3H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127567 (US8791100, 65) Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(Cl)c(CN2CC(C)(C2)C(O)=O)c1)C(F)(F)F |r| Show InChI InChI=1S/C21H21Cl2F3N2O2/c1-12-7-13(3-5-16(12)22)18(21(24,25)26)27-15-4-6-17(23)14(8-15)9-28-10-20(2,11-28)19(29)30/h3-8,18,27H,9-11H2,1-2H3,(H,29,30)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531296 (US11208399, Example 53) Show SMILES CN1CCC[C@H](C1)Nc1cc(c(nn1)-c1ccc(cc1O)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127542 (US8791100, 40) Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(C)c(CNCCC(O)=O)c1C)C(F)(F)F |r| Show InChI InChI=1S/C21H24ClF3N2O2/c1-12-4-7-18(14(3)16(12)11-26-9-8-19(28)29)27-20(21(23,24)25)15-5-6-17(22)13(2)10-15/h4-7,10,20,26-27H,8-9,11H2,1-3H3,(H,28,29)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127511 (US8791100, 9) Show SMILES CCC(Nc1cc(C)cc(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 Show InChI InChI=1S/C22H27ClN2O2/c1-4-21(17-5-6-20(23)15(3)9-17)24-19-8-14(2)7-16(10-19)11-25-12-18(13-25)22(26)27/h5-10,18,21,24H,4,11-13H2,1-3H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531223 ((R)-2-(4-Methyl-6-((1-methylpiperidin-3-yl)amino)p...) Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127586 (US8791100, 84) Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1cc(CN2CC[C@H](C2)C(O)=O)c(Cl)cn1)C(F)(F)F |r| Show InChI InChI=1S/C20H20Cl2F3N3O2/c1-11-6-12(2-3-15(11)21)18(20(23,24)25)27-17-7-14(16(22)8-26-17)10-28-5-4-13(9-28)19(29)30/h2-3,6-8,13,18H,4-5,9-10H2,1H3,(H,26,27)(H,29,30)/t13-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127531 (US8791100, 29) Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(Cl)c(CN2CC[C@H](C2)C(O)=O)c1)C(F)(F)F |r| Show InChI InChI=1S/C21H21Cl2F3N2O2/c1-12-8-13(2-4-17(12)22)19(21(24,25)26)27-16-3-5-18(23)15(9-16)11-28-7-6-14(10-28)20(29)30/h2-5,8-9,14,19,27H,6-7,10-11H2,1H3,(H,29,30)/t14-,19+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127508 (US8791100, 6) Show SMILES CC[C@@H](Nc1cccc(c1)C(C)N1CC(C1)C(O)=O)c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C22H27ClN2O2/c1-4-21(17-8-9-20(23)14(2)10-17)24-19-7-5-6-16(11-19)15(3)25-12-18(13-25)22(26)27/h5-11,15,18,21,24H,4,12-13H2,1-3H3,(H,26,27)/t15?,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127557 (US8791100, 55) Show SMILES CC[C@@H](Nc1cc(CN2CC[C@H](C2)C(O)=O)c(Cl)cn1)c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C21H25Cl2N3O2/c1-3-19(14-4-5-17(22)13(2)8-14)25-20-9-16(18(23)10-24-20)12-26-7-6-15(11-26)21(27)28/h4-5,8-10,15,19H,3,6-7,11-12H2,1-2H3,(H,24,25)(H,27,28)/t15-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127581 (US8791100, 79) Show SMILES CC[C@@H](Nc1cc(CN2CC(C2)C(O)=O)c(Cl)cn1)c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C20H23Cl2N3O2/c1-3-18(13-4-5-16(21)12(2)6-13)24-19-7-14(17(22)8-23-19)9-25-10-15(11-25)20(26)27/h4-8,15,18H,3,9-11H2,1-2H3,(H,23,24)(H,26,27)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531253 (US11208399, Example 12) Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127535 (US8791100, 33) Show SMILES CC[C@@H](Nc1ccc(C)c(CN2CC(C2)C(O)=O)c1C)c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C23H29ClN2O2/c1-5-21(17-7-8-20(24)15(3)10-17)25-22-9-6-14(2)19(16(22)4)13-26-11-18(12-26)23(27)28/h6-10,18,21,25H,5,11-13H2,1-4H3,(H,27,28)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127588 (US8791100, 86 | US8791100, 87) Show SMILES CC[C@@H](Nc1cc(CN2CCC(C)(C2)C(O)=O)c(Cl)cn1)c1ccc(Cl)c(C)c1 |r,w:11.14| Show InChI InChI=1S/C22H27Cl2N3O2/c1-4-19(15-5-6-17(23)14(2)9-15)26-20-10-16(18(24)11-25-20)12-27-8-7-22(3,13-27)21(28)29/h5-6,9-11,19H,4,7-8,12-13H2,1-3H3,(H,25,26)(H,28,29)/t19-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531331 (US11208399, Example 82) Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(OC(F)(F)F)cc1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127570 (US8791100, 68) Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(Cl)c(CN2CC(C2)C(O)=O)c1)C(F)(F)F |r| Show InChI InChI=1S/C20H19Cl2F3N2O2/c1-11-6-12(2-4-16(11)21)18(20(23,24)25)26-15-3-5-17(22)13(7-15)8-27-9-14(10-27)19(28)29/h2-7,14,18,26H,8-10H2,1H3,(H,28,29)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127524 (US8791100, 22) Show SMILES CC[C@@H](Nc1ccc(C)c(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C22H27ClN2O2/c1-4-21(16-6-8-20(23)15(3)9-16)24-19-7-5-14(2)17(10-19)11-25-12-18(13-25)22(26)27/h5-10,18,21,24H,4,11-13H2,1-3H3,(H,26,27)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127530 (US8791100, 28) Show SMILES CC[C@@H](Nc1ccc(C)c(CN2CC(C)(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C23H29ClN2O2/c1-5-21(17-7-9-20(24)16(3)10-17)25-19-8-6-15(2)18(11-19)12-26-13-23(4,14-26)22(27)28/h6-11,21,25H,5,12-14H2,1-4H3,(H,27,28)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127571 (US8791100, 69) Show SMILES Cc1cc(ccc1Cl)C(Nc1ccc(c(CN2CC(C2)C(O)=O)c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19ClF6N2O2/c1-11-6-12(2-5-17(11)22)18(21(26,27)28)29-15-3-4-16(20(23,24)25)13(7-15)8-30-9-14(10-30)19(31)32/h2-7,14,18,29H,8-10H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531319 (US11208399, Example 71) Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(Cl)cc1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127569 (US8791100, 67) Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1cccc(CN2CC(C2)C(O)=O)c1)C(F)(F)F |r| Show InChI InChI=1S/C20H20ClF3N2O2/c1-12-7-14(5-6-17(12)21)18(20(22,23)24)25-16-4-2-3-13(8-16)9-26-10-15(11-26)19(27)28/h2-8,15,18,25H,9-11H2,1H3,(H,27,28)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531332 (US11208399, Example 83a) Show SMILES Cc1cc(OC(F)(F)F)cc(O)c1-c1ccc(N[C@@H]2CCCN3CCC[C@H]23)nn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531288 (US11208399, Example 47) Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(C)cc1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127545 (US8791100, 43) Show SMILES CC[C@@H](Nc1ccc(Cl)c(CN2CC[C@H](C2)C(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r| Show InChI InChI=1S/C23H28Cl2N2O2/c1-4-21(17-9-14(2)22(25)15(3)10-17)26-19-5-6-20(24)18(11-19)13-27-8-7-16(12-27)23(28)29/h5-6,9-11,16,21,26H,4,7-8,12-13H2,1-3H3,(H,28,29)/t16-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127580 (US8791100, 78) Show SMILES CC[C@@H](Nc1ccnc(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C20H24ClN3O2/c1-3-19(14-4-5-18(21)13(2)8-14)23-16-6-7-22-17(9-16)12-24-10-15(11-24)20(25)26/h4-9,15,19H,3,10-12H2,1-2H3,(H,22,23)(H,25,26)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127534 (US8791100, 32) Show SMILES CC[C@@H](Nc1ccc(C)c(CN2CC[C@H](C2)C(O)=O)c1C)c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C24H31ClN2O2/c1-5-22(18-7-8-21(25)16(3)12-18)26-23-9-6-15(2)20(17(23)4)14-27-11-10-19(13-27)24(28)29/h6-9,12,19,22,26H,5,10-11,13-14H2,1-4H3,(H,28,29)/t19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531220 ((R)-2-(6-((1-Ethylpiperidin-3-yl)amino)pyridazin-3...) Show SMILES CCN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127536 (US8791100, 34) Show SMILES CCc1ccc(N[C@@H](c2ccc(Cl)c(C)c2)C(F)(F)F)cc1CN1CC[C@H](C1)C(O)=O |r| Show InChI InChI=1S/C23H26ClF3N2O2/c1-3-15-4-6-19(11-18(15)13-29-9-8-17(12-29)22(30)31)28-21(23(25,26)27)16-5-7-20(24)14(2)10-16/h4-7,10-11,17,21,28H,3,8-9,12-13H2,1-2H3,(H,30,31)/t17-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127540 (US8791100, 38) Show SMILES CC[C@@H](Nc1ccc(Cl)c(CN2CC[C@H](C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C22H26Cl2N2O2/c1-3-21(15-4-6-19(23)14(2)10-15)25-18-5-7-20(24)17(11-18)13-26-9-8-16(12-26)22(27)28/h4-7,10-11,16,21,25H,3,8-9,12-13H2,1-2H3,(H,27,28)/t16-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127541 (US8791100, 39) Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1cccc(CN2CC(C2)C(O)=O)c1C)C(F)(F)F |r| Show InChI InChI=1S/C21H22ClF3N2O2/c1-12-8-14(6-7-17(12)22)19(21(23,24)25)26-18-5-3-4-15(13(18)2)9-27-10-16(11-27)20(28)29/h3-8,16,19,26H,9-11H2,1-2H3,(H,28,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531289 (US11208399, Example 48) Show SMILES CN1CCC[C@H](C1)Nc1nnc(c(C)c1C)-c1ccc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127556 (US8791100, 54) Show SMILES CC[C@@H](Nc1cc(CN2CC(C2)C(O)=O)c(F)cn1)c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C20H23ClFN3O2/c1-3-18(13-4-5-16(21)12(2)6-13)24-19-7-14(17(22)8-23-19)9-25-10-15(11-25)20(26)27/h4-8,15,18H,3,9-11H2,1-2H3,(H,23,24)(H,26,27)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127554 (US8791100, 52) Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(Cl)c(CNCCC(O)=O)c1)C(F)(F)F |r| Show InChI InChI=1S/C19H19Cl2F3N2O2/c1-11-8-12(2-4-15(11)20)18(19(22,23)24)26-14-3-5-16(21)13(9-14)10-25-7-6-17(27)28/h2-5,8-9,18,25-26H,6-7,10H2,1H3,(H,27,28)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127564 (US8791100, 62) Show SMILES CC[C@@H](Nc1ccc(Cl)c(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C21H24Cl2N2O2/c1-3-20(14-4-6-18(22)13(2)8-14)24-17-5-7-19(23)15(9-17)10-25-11-16(12-25)21(26)27/h4-9,16,20,24H,3,10-12H2,1-2H3,(H,26,27)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531230 (US11208399, Example 6) Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCN(CCO)C2)nn1)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127532 (US8791100, 30) Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(C)c(CN2CC[C@H](C2)C(O)=O)c1C)C(F)(F)F |r| Show InChI InChI=1S/C23H26ClF3N2O2/c1-13-4-7-20(15(3)18(13)12-29-9-8-17(11-29)22(30)31)28-21(23(25,26)27)16-5-6-19(24)14(2)10-16/h4-7,10,17,21,28H,8-9,11-12H2,1-3H3,(H,30,31)/t17-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127587 (US8791100, 85) Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1cc(CNCCC(O)=O)c(Cl)cn1)C(F)(F)F |r| Show InChI InChI=1S/C18H18Cl2F3N3O2/c1-10-6-11(2-3-13(10)19)17(18(21,22)23)26-15-7-12(14(20)9-25-15)8-24-5-4-16(27)28/h2-3,6-7,9,17,24H,4-5,8H2,1H3,(H,25,26)(H,27,28)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127505 (US8791100, 3) Show SMILES CC[C@@H](Nc1cccc(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C21H25ClN2O2/c1-3-20(16-7-8-19(22)14(2)9-16)23-18-6-4-5-15(10-18)11-24-12-17(13-24)21(25)26/h4-10,17,20,23H,3,11-13H2,1-2H3,(H,25,26)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127544 (US8791100, 42) Show SMILES CC[C@@H](Nc1ccc(C)c(CN2CC[C@H](C2)C(O)=O)c1)c1cc(C)c(Cl)c(C)c1 |r| Show InChI InChI=1S/C24H31ClN2O2/c1-5-22(19-10-16(3)23(25)17(4)11-19)26-21-7-6-15(2)20(12-21)14-27-9-8-18(13-27)24(28)29/h6-7,10-12,18,22,26H,5,8-9,13-14H2,1-4H3,(H,28,29)/t18-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127523 (US8791100, 21) Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(C)c(CN2CC[C@H](C2)C(O)=O)c1)C(F)(F)F |r| Show InChI InChI=1S/C22H24ClF3N2O2/c1-13-3-5-18(10-17(13)12-28-8-7-16(11-28)21(29)30)27-20(22(24,25)26)15-4-6-19(23)14(2)9-15/h3-6,9-10,16,20,27H,7-8,11-12H2,1-2H3,(H,29,30)/t16-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127525 (US8791100, 23) Show SMILES CC[C@@H](Nc1ccc(C)c(CN2CC[C@H](C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C23H29ClN2O2/c1-4-22(17-6-8-21(24)16(3)11-17)25-20-7-5-15(2)19(12-20)14-26-10-9-18(13-26)23(27)28/h5-8,11-12,18,22,25H,4,9-10,13-14H2,1-3H3,(H,27,28)/t18-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127533 (US8791100, 31) Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(C)c(CN2CC(C2)C(O)=O)c1C)C(F)(F)F |r| Show InChI InChI=1S/C22H24ClF3N2O2/c1-12-4-7-19(14(3)17(12)11-28-9-16(10-28)21(29)30)27-20(22(24,25)26)15-5-6-18(23)13(2)8-15/h4-8,16,20,27H,9-11H2,1-3H3,(H,29,30)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127574 (US8791100, 72) Show SMILES Cc1cc(ccc1Cl)[C@H](Nc1ccc(Cl)c(CN2CCC(C2)C(O)=O)c1)C(F)(F)F |r| Show InChI InChI=1S/C21H21Cl2F3N2O2/c1-12-8-13(2-4-17(12)22)19(21(24,25)26)27-16-3-5-18(23)15(9-16)11-28-7-6-14(10-28)20(29)30/h2-5,8-9,14,19,27H,6-7,10-11H2,1H3,(H,29,30)/t14?,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM127565 (US8791100, 63) Show SMILES CC(C)[C@@H](Nc1ccc(Cl)c(CN2CC(C2)C(O)=O)c1)c1ccc(Cl)c(C)c1 |r| Show InChI InChI=1S/C22H26Cl2N2O2/c1-13(2)21(15-4-6-19(23)14(3)8-15)25-18-5-7-20(24)16(9-18)10-26-11-17(12-26)22(27)28/h4-9,13,17,21,25H,10-12H2,1-3H3,(H,27,28)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	37
Novartis AG US Patent					Assay Description The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...				US Patent US8791100 (2014) BindingDB Entry DOI: 10.7270/Q2ZK5FCC
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531254 (US11208399, Example 13) Show SMILES Cc1cc(nnc1N[C@@H]1CCCN(CCO)C1)-c1c(C)cc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair

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