Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'gill' and Initial = 'gs'   

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
D(4) dopamine receptor (RAT)	BDBM50051563 (4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 279: 1392-403 (1996) BindingDB Entry DOI: 10.7270/Q2SQ8XX9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50051563 (4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	10.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 279: 1392-403 (1996) BindingDB Entry DOI: 10.7270/Q2SQ8XX9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50051563 (4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 279: 1392-403 (1996) BindingDB Entry DOI: 10.7270/Q2SQ8XX9
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (RAT)	BDBM50051563 (4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 279: 1392-403 (1996) BindingDB Entry DOI: 10.7270/Q2SQ8XX9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50051563 (4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 279: 1392-403 (1996) BindingDB Entry DOI: 10.7270/Q2SQ8XX9
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50051563 (4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	4.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 279: 1392-403 (1996) BindingDB Entry DOI: 10.7270/Q2SQ8XX9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50051563 (4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	5.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 279: 1392-403 (1996) BindingDB Entry DOI: 10.7270/Q2SQ8XX9
					More data for this Ligand-Target Pair
Histamine H1 receptor (COW)	BDBM50051563 (4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 279: 1392-403 (1996) BindingDB Entry DOI: 10.7270/Q2SQ8XX9
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50051563 (4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	8.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 279: 1392-403 (1996) BindingDB Entry DOI: 10.7270/Q2SQ8XX9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50051563 (4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1 Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn, Inc. Curated by PDSP Ki Database									J Pharmacol Exp Ther 279: 1392-403 (1996) BindingDB Entry DOI: 10.7270/Q2SQ8XX9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Homo sapiens (Human))	BDBM60835 (US9181182, 63) Show SMILES CCCCCCCCOc1ccc(CCC(N)(CO)CO)cc1C12CC3CC(CC(C3)C1)C2 |TLB:26:27:25.24.30:31,30:25:32:28.31.29,30:29:32:26.25.24,THB:26:25:27.32.28:31| Show InChI InChI=1S/C29H47NO3/c1-2-3-4-5-6-7-12-33-27-9-8-22(10-11-29(30,20-31)21-32)16-26(27)28-17-23-13-24(18-28)15-25(14-23)19-28/h8-9,16,23-25,31-32H,2-7,10-15,17-21,30H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190497 (US9181182, 1) Show SMILES CCCCCCCCc1ccc(NCC(N)(CO)CO)cc1 Show InChI InChI=1S/C18H32N2O2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)20-13-18(19,14-21)15-22/h9-12,20-22H,2-8,13-15,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190498 (US9181182, 2) Show SMILES CCCCCCCCc1ccc2CN(CC(N)(CO)CO)Cc2c1 Show InChI InChI=1S/C20H34N2O2/c1-2-3-4-5-6-7-8-17-9-10-18-12-22(13-19(18)11-17)14-20(21,15-23)16-24/h9-11,23-24H,2-8,12-16,21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.56E+3	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190499 (US9181182, 3) Show SMILES CCCCCCCCc1ccc2N(CC(N)(CO)CO)CCc2c1 Show InChI InChI=1S/C20H34N2O2/c1-2-3-4-5-6-7-8-17-9-10-19-18(13-17)11-12-22(19)14-20(21,15-23)16-24/h9-10,13,23-24H,2-8,11-12,14-16,21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.11E+3	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190500 (US9181182, 9) Show SMILES CCCCCCCCc1ccc2N(CC(N)(CO)CO)CCCc2c1 Show InChI InChI=1S/C21H36N2O2/c1-2-3-4-5-6-7-9-18-11-12-20-19(14-18)10-8-13-23(20)15-21(22,16-24)17-25/h11-12,14,24-25H,2-10,13,15-17,22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>860	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190501 (US9181182, 8) Show SMILES NC(CO)(CO)CN1CCc2cc(OCc3cc4c(Cl)cc(Cl)cc4o3)ccc12 Show InChI InChI=1S/C21H22Cl2N2O4/c22-14-6-18(23)17-8-16(29-20(17)7-14)9-28-15-1-2-19-13(5-15)3-4-25(19)10-21(24,11-26)12-27/h1-2,5-8,26-27H,3-4,9-12,24H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	131	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190502 (US9181182, 7) Show SMILES COc1ccc(cc1Cl)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1 Show InChI InChI=1S/C21H23ClN4O4/c1-29-18-5-3-15(9-16(18)22)20-24-19(25-30-20)14-2-4-17-13(8-14)6-7-26(17)10-21(23,11-27)12-28/h2-5,8-9,27-28H,6-7,10-12,23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	783	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190503 (US9181182, 34) Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12 Show InChI InChI=1S/C24H30N4O5/c1-3-31-20-9-8-16(12-21(20)32-4-2)23-26-22(27-33-23)18-6-5-7-19-17(18)10-11-28(19)13-24(25,14-29)15-30/h5-9,12,29-30H,3-4,10-11,13-15,25H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	6.80	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190504 (US9181182, 35) Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1cccc2n(CC(N)(CO)CO)ccc12 Show InChI InChI=1S/C24H28N4O5/c1-3-31-20-9-8-16(12-21(20)32-4-2)23-26-22(27-33-23)18-6-5-7-19-17(18)10-11-28(19)13-24(25,14-29)15-30/h5-12,29-30H,3-4,13-15,25H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	54	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190505 (US9181182, 36) Show SMILES NC(CO)(CO)CN1CCc2c1cccc2-c1noc(n1)-c1ccc(cc1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C27H25F3N4O3/c28-27(29,30)22-6-2-1-4-19(22)17-8-10-18(11-9-17)25-32-24(33-37-25)21-5-3-7-23-20(21)12-13-34(23)14-26(31,15-35)16-36/h1-11,35-36H,12-16,31H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	501	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190506 (US9181182, 39) Show SMILES NC(CO)(CO)CN1CCc2cc(OCc3ccc(cc3)-c3ccccc3C(F)(F)F)ccc2C1 Show InChI InChI=1S/C27H29F3N2O3/c28-27(29,30)25-4-2-1-3-24(25)20-7-5-19(6-8-20)15-35-23-10-9-22-14-32(12-11-21(22)13-23)16-26(31,17-33)18-34/h1-10,13,33-34H,11-12,14-18,31H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>3.24E+3	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190507 (US9181182, 40) Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1 Show InChI InChI=1S/C24H30N4O5/c1-3-31-20-8-6-18(12-21(20)32-4-2)23-26-22(27-33-23)17-5-7-19-16(11-17)9-10-28(19)13-24(25,14-29)15-30/h5-8,11-12,29-30H,3-4,9-10,13-15,25H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	344	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190508 (US9181182, 41(a)) Show SMILES NC(CO)(CO)CN1CCc2c1cccc2OCc1cc2c(Cl)cc(Cl)cc2o1 Show InChI InChI=1S/C21H22Cl2N2O4/c22-13-6-17(23)16-8-14(29-20(16)7-13)9-28-19-3-1-2-18-15(19)4-5-25(18)10-21(24,11-26)12-27/h1-3,6-8,26-27H,4-5,9-12,24H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	>1.36E+3	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190509 (US9181182, 41(b)) Show SMILES CC(C)(C)OC(=O)NC(CO)(CO)CN1CCc2c1cccc2OCc1cc2c(Cl)cc(Cl)cc2o1 Show InChI InChI=1S/C26H30Cl2N2O6/c1-25(2,3)36-24(33)29-26(14-31,15-32)13-30-8-7-18-21(30)5-4-6-22(18)34-12-17-11-19-20(28)9-16(27)10-23(19)35-17/h4-6,9-11,31-32H,7-8,12-15H2,1-3H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	>2.90E+4	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190510 (US9181182, 42) Show SMILES Cc1cc2cc(ccc2o1)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12 Show InChI InChI=1S/C23H24N4O4/c1-14-9-16-10-15(5-6-20(16)30-14)22-25-21(26-31-22)18-3-2-4-19-17(18)7-8-27(19)11-23(24,12-28)13-29/h2-6,9-10,28-29H,7-8,11-13,24H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	1.42E+3	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190511 (US9181182, 12) Show SMILES NC(CO)(CO)CCc1ccc(CCc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H28FNO3/c27-24-13-11-23(12-14-24)25(31)22-9-7-20(8-10-22)2-1-19-3-5-21(6-4-19)15-16-26(28,17-29)18-30/h3-14,29-30H,1-2,15-18,28H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.82E+3	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190512 (US9181182, 10) Show SMILES CCCCCCCCc1ccc2CN(CC(N)(CO)CO)CCc2c1 Show InChI InChI=1S/C21H36N2O2/c1-2-3-4-5-6-7-8-18-9-10-20-14-23(12-11-19(20)13-18)15-21(22,16-24)17-25/h9-10,13,24-25H,2-8,11-12,14-17,22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>510	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190513 (US9181182, 49) Show SMILES CCOc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CC(N)(CO)CO)ccc12 Show InChI InChI=1S/C22H23ClN4O4/c1-2-30-19-7-6-14(10-17(19)23)21-25-20(26-31-21)16-4-3-5-18-15(16)8-9-27(18)11-22(24,12-28)13-29/h3-10,28-29H,2,11-13,24H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	114	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190514 (US9181182, 50) Show SMILES CCCOc1ccc(cc1Cl)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12 Show InChI InChI=1S/C23H27ClN4O4/c1-2-10-31-20-7-6-15(11-18(20)24)22-26-21(27-32-22)17-4-3-5-19-16(17)8-9-28(19)12-23(25,13-29)14-30/h3-7,11,29-30H,2,8-10,12-14,25H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	17.9	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190515 (US9181182, 55) Show SMILES CCOc1ccc(cc1OC)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12 Show InChI InChI=1S/C23H28N4O5/c1-3-31-19-8-7-15(11-20(19)30-2)22-25-21(26-32-22)17-5-4-6-18-16(17)9-10-27(18)12-23(24,13-28)14-29/h4-8,11,28-29H,3,9-10,12-14,24H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	31.6	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190516 (US9181182, 58) Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccc(cc1)C1=CCN(CC(N)(CO)CO)CC1 |t:26| Show InChI InChI=1S/C27H34N4O5/c1-3-34-23-10-9-22(15-24(23)35-4-2)26-29-25(30-36-26)21-7-5-19(6-8-21)20-11-13-31(14-12-20)16-27(28,17-32)18-33/h5-11,15,32-33H,3-4,12-14,16-18,28H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>2.06E+3	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190517 (US9181182, 59) Show SMILES NC(CO)(CO)CN1CCc2cc(CCc3ccc(cc3)-c3ccccc3C(F)(F)F)ccc12 Show InChI InChI=1S/C27H29F3N2O2/c28-27(29,30)24-4-2-1-3-23(24)21-10-7-19(8-11-21)5-6-20-9-12-25-22(15-20)13-14-32(25)16-26(31,17-33)18-34/h1-4,7-12,15,33-34H,5-6,13-14,16-18,31H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>2.13E+3	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190518 (US9181182, 65) Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccc2CN(CC(N)(CO)CO)Cc2c1 Show InChI InChI=1S/C24H30N4O5/c1-3-31-20-8-7-17(10-21(20)32-4-2)23-26-22(27-33-23)16-5-6-18-11-28(12-19(18)9-16)13-24(25,14-29)15-30/h5-10,29-30H,3-4,11-15,25H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7.40	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM255789 (2-Amino-2-(5-(5-(3,4-diethoxyphenyl)-1,2,4-oxadiaz...) Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccc2oc(cc2c1)C(N)(CO)CO Show InChI InChI=1S/C23H25N3O6/c1-3-29-18-8-6-15(10-19(18)30-4-2)22-25-21(26-32-22)14-5-7-17-16(9-14)11-20(31-17)23(24,12-27)13-28/h5-11,27-28H,3-4,12-13,24H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	380	n/a	n/a	n/a	n/a
AKAAL PHARMA PTY LTD. US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9707205 (2017) BindingDB Entry DOI: 10.7270/Q2WW7KP9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190520 (US9181182, 47) Show SMILES CCCc1ccc(cc1CCC)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12 Show InChI InChI=1S/C26H34N4O3/c1-3-6-18-10-11-20(14-19(18)7-4-2)25-28-24(29-33-25)22-8-5-9-23-21(22)12-13-30(23)15-26(27,16-31)17-32/h5,8-11,14,31-32H,3-4,6-7,12-13,15-17,27H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190521 (US9181182, 46) Show SMILES CCCOc1ccc(cc1N)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12 Show InChI InChI=1S/C23H29N5O4/c1-2-10-31-20-7-6-15(11-18(20)24)22-26-21(27-32-22)17-4-3-5-19-16(17)8-9-28(19)12-23(25,13-29)14-30/h3-7,11,29-30H,2,8-10,12-14,24-25H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	88	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190522 (US9181182, 44) Show SMILES CCCOc1ccc(cc1I)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12 Show InChI InChI=1S/C23H27IN4O4/c1-2-10-31-20-7-6-15(11-18(20)24)22-26-21(27-32-22)17-4-3-5-19-16(17)8-9-28(19)12-23(25,13-29)14-30/h3-7,11,29-30H,2,8-10,12-14,25H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	48.1	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190523 (US9181182, 48) Show SMILES CCCc1ccc(cc1)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12 Show InChI InChI=1S/C23H28N4O3/c1-2-4-16-7-9-17(10-8-16)22-25-21(26-30-22)19-5-3-6-20-18(19)11-12-27(20)13-23(24,14-28)15-29/h3,5-10,28-29H,2,4,11-15,24H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	6.70	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190524 (US9181182, 52) Show SMILES CCCCOc1ccc(cc1Cl)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1 Show InChI InChI=1S/C24H29ClN4O4/c1-2-3-10-32-21-7-5-18(12-19(21)25)23-27-22(28-33-23)17-4-6-20-16(11-17)8-9-29(20)13-24(26,14-30)15-31/h4-7,11-12,30-31H,2-3,8-10,13-15,26H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	34.5	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190525 (US9181182, 54) Show SMILES CCCCCOc1ccc(cc1Cl)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1 Show InChI InChI=1S/C25H31ClN4O4/c1-2-3-4-11-33-22-8-6-19(13-20(22)26)24-28-23(29-34-24)18-5-7-21-17(12-18)9-10-30(21)14-25(27,15-31)16-32/h5-8,12-13,31-32H,2-4,9-11,14-16,27H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	43.8	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190526 (US9181182, 56) Show SMILES CCCOc1ccc(cc1Br)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1 Show InChI InChI=1S/C23H27BrN4O4/c1-2-9-31-20-6-4-17(11-18(20)24)22-26-21(27-32-22)16-3-5-19-15(10-16)7-8-28(19)12-23(25,13-29)14-30/h3-6,10-11,29-30H,2,7-9,12-14,25H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	2.90	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM190527 (US9181182, 51) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1 Show InChI InChI=1S/C23H27ClN4O4/c1-14(2)31-20-6-4-17(10-18(20)24)22-26-21(27-32-22)16-3-5-19-15(9-16)7-8-28(19)11-23(25,12-29)13-30/h3-6,9-10,14,29-30H,7-8,11-13,25H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	3.5	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM190503 (US9181182, 34) Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12 Show InChI InChI=1S/C24H30N4O5/c1-3-31-20-9-8-16(12-21(20)32-4-2)23-26-22(27-33-23)18-6-5-7-19-17(18)10-11-28(19)13-24(25,14-29)15-30/h5-9,12,29-30H,3-4,10-11,13-15,25H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	129	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM190507 (US9181182, 40) Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1 Show InChI InChI=1S/C24H30N4O5/c1-3-31-20-8-6-18(12-21(20)32-4-2)23-26-22(27-33-23)17-5-7-19-16(11-17)9-10-28(19)13-24(25,14-29)15-30/h5-8,11-12,29-30H,3-4,9-10,13-15,25H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	>1.56E+3	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM190518 (US9181182, 65) Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccc2CN(CC(N)(CO)CO)Cc2c1 Show InChI InChI=1S/C24H30N4O5/c1-3-31-20-8-7-17(10-21(20)32-4-2)23-26-22(27-33-23)16-5-6-18-11-28(12-19(18)9-16)13-24(25,14-29)15-30/h5-10,29-30H,3-4,11-15,25H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	39	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM190519 (US9181182, 43) Show SMILES CCCOc1ccc(cc1OCCC)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12 Show InChI InChI=1S/C26H34N4O5/c1-3-12-33-22-9-8-18(14-23(22)34-13-4-2)25-28-24(29-35-25)20-6-5-7-21-19(20)10-11-30(21)15-26(27,16-31)17-32/h5-9,14,31-32H,3-4,10-13,15-17,27H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	310	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM190520 (US9181182, 47) Show SMILES CCCc1ccc(cc1CCC)-c1nc(no1)-c1cccc2N(CC(N)(CO)CO)CCc12 Show InChI InChI=1S/C26H34N4O3/c1-3-6-18-10-11-20(14-19(18)7-4-2)25-28-24(29-33-25)22-8-5-9-23-21(22)12-13-30(23)15-26(27,16-31)17-32/h5,8-11,14,31-32H,3-4,6-7,12-13,15-17,27H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	96.5	n/a	n/a	n/a	30
Akaal Pharma PTY LTD US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9181182 (2015) BindingDB Entry DOI: 10.7270/Q2XW4HMR
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM255777 (3-(3-(4-n-Octylphenyl)ureido)propanoic acid | US97...) Show SMILES CCCCCCCCc1ccc(NC(=O)NCCC(O)=O)cc1 Show InChI InChI=1S/C18H28N2O3/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(23)19-14-13-17(21)22/h9-12H,2-8,13-14H2,1H3,(H,21,22)(H2,19,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	460	n/a	n/a	n/a	n/a
AKAAL PHARMA PTY LTD. US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9707205 (2017) BindingDB Entry DOI: 10.7270/Q2WW7KP9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM255775 (N-(1H-Tetrazol-5-yl)methyl-4-octylbenzylamine | US...) Show SMILES CCCCCCCCc1ccc(CN(C)c2nnn[nH]2)cc1 Show InChI InChI=1S/C17H27N5/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)14-22(2)17-18-20-21-19-17/h10-13H,3-9,14H2,1-2H3,(H,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a
AKAAL PHARMA PTY LTD. US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9707205 (2017) BindingDB Entry DOI: 10.7270/Q2WW7KP9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM255776 (2-(4-(4-n-Octylphenyl)piperazin-1-yl)acetic acid |...) Show SMILES CCCCCCCCc1ccc(cc1)N1CCN(CC(O)=O)CC1 Show InChI InChI=1S/C20H32N2O2/c1-2-3-4-5-6-7-8-18-9-11-19(12-10-18)22-15-13-21(14-16-22)17-20(23)24/h9-12H,2-8,13-17H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a
AKAAL PHARMA PTY LTD. US Patent					Assay Description Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS ...				US Patent US9707205 (2017) BindingDB Entry DOI: 10.7270/Q2WW7KP9
					More data for this Ligand-Target Pair

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