Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'komeno' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50250631 (CHEMBL4093489) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.574	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P5 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50250631 (CHEMBL4093489) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.626	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Rattus norvegicus)	BDBM50250631 (CHEMBL4093489) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.772	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from rat S1P1 receptor after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50250631 (CHEMBL4093489) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P4 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50250631 (CHEMBL4093489) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>5.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50250631 (CHEMBL4093489) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>5.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P3 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50116666 (4-Methyl-3,6-dihydro-1H-pyridin-(2Z)-ylideneamine ...) Show SMILES CC1=CC(N)=NCC1 |c:4,t:1| Show InChI InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description The concentration required for inhibition of Inducible nitric oxide synthase in mouse				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50116674 (6-Allyl-4-methyl-5,6-dihydro-1H-pyridin-(2Z)-ylide...) Show SMILES CC1=CC(N)=NC(CC=C)C1 |c:4,t:1| Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h3,6,8H,1,4-5H2,2H3,(H2,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description The concentration required for inhibition of Inducible nitric oxide synthase in mouse				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116674 (6-Allyl-4-methyl-5,6-dihydro-1H-pyridin-(2Z)-ylide...) Show SMILES CC1=CC(N)=NC(CC=C)C1 |c:4,t:1| Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h3,6,8H,1,4-5H2,2H3,(H2,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116668 (4-Methyl-6-propyl-5,6-dihydro-1H-pyridin-(2Z)-ylid...) Show SMILES CCCC1CC(C)=CC(N)=N1 |c:6,9| Show InChI InChI=1S/C9H16N2/c1-3-4-8-5-7(2)6-9(10)11-8/h6,8H,3-5H2,1-2H3,(H2,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50116667 (4,5,5-Trimethyl-5,6-dihydro-1H-pyridin-(2Z)-yliden...) Show SMILES CC1=CC(N)=NCC1(C)C |c:4,t:1| Show InChI InChI=1S/C8H14N2/c1-6-4-7(9)10-5-8(6,2)3/h4H,5H2,1-3H3,(H2,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description The concentration required for inhibition of Inducible nitric oxide synthase in mouse				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50116668 (4-Methyl-6-propyl-5,6-dihydro-1H-pyridin-(2Z)-ylid...) Show SMILES CCCC1CC(C)=CC(N)=N1 |c:6,9| Show InChI InChI=1S/C9H16N2/c1-3-4-8-5-7(2)6-9(10)11-8/h6,8H,3-5H2,1-2H3,(H2,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description The concentration required for inhibition of Inducible nitric oxide synthase in mouse				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116670 ((4aR,7aR)-4-Methyl-1,4a,5,6,7,7a-hexahydro-[1]pyri...) Show SMILES CC1=CC(N)=N[C@@H]2CCC[C@H]12 |c:4,t:1| Show InChI InChI=1S/C9H14N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h5,7-8H,2-4H2,1H3,(H2,10,11)/t7-,8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116676 (4,6-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...) Show SMILES CC1CC(C)=CC(N)=N1 |c:4,7| Show InChI InChI=1S/C7H12N2/c1-5-3-6(2)9-7(8)4-5/h4,6H,3H2,1-2H3,(H2,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116666 (4-Methyl-3,6-dihydro-1H-pyridin-(2Z)-ylideneamine ...) Show SMILES CC1=CC(N)=NCC1 |c:4,t:1| Show InChI InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116666 (4-Methyl-3,6-dihydro-1H-pyridin-(2Z)-ylideneamine ...) Show SMILES CC1=CC(N)=NCC1 |c:4,t:1| Show InChI InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116676 (4,6-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...) Show SMILES CC1CC(C)=CC(N)=N1 |c:4,7| Show InChI InChI=1S/C7H12N2/c1-5-3-6(2)9-7(8)4-5/h4,6H,3H2,1-2H3,(H2,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116673 (3,4-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...) Show SMILES CC1=C(C)C(N)=NCC1 |c:1,5| Show InChI InChI=1S/C7H12N2/c1-5-3-4-9-7(8)6(5)2/h3-4H2,1-2H3,(H2,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116673 (3,4-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...) Show SMILES CC1=C(C)C(N)=NCC1 |c:1,5| Show InChI InChI=1S/C7H12N2/c1-5-3-4-9-7(8)6(5)2/h3-4H2,1-2H3,(H2,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116674 (6-Allyl-4-methyl-5,6-dihydro-1H-pyridin-(2Z)-ylide...) Show SMILES CC1=CC(N)=NC(CC=C)C1 |c:4,t:1| Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h3,6,8H,1,4-5H2,2H3,(H2,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116667 (4,5,5-Trimethyl-5,6-dihydro-1H-pyridin-(2Z)-yliden...) Show SMILES CC1=CC(N)=NCC1(C)C |c:4,t:1| Show InChI InChI=1S/C8H14N2/c1-6-4-7(9)10-5-8(6,2)3/h4H,5H2,1-3H3,(H2,9,10)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116666 (4-Methyl-3,6-dihydro-1H-pyridin-(2Z)-ylideneamine ...) Show SMILES CC1=CC(N)=NCC1 |c:4,t:1| Show InChI InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116675 (4,5-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...) Show SMILES CC1CN=C(N)C=C1C |c:6,t:3| Show InChI InChI=1S/C7H12N2/c1-5-3-7(8)9-4-6(5)2/h3,6H,4H2,1-2H3,(H2,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116670 ((4aR,7aR)-4-Methyl-1,4a,5,6,7,7a-hexahydro-[1]pyri...) Show SMILES CC1=CC(N)=N[C@@H]2CCC[C@H]12 |c:4,t:1| Show InChI InChI=1S/C9H14N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h5,7-8H,2-4H2,1H3,(H2,10,11)/t7-,8-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116675 (4,5-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...) Show SMILES CC1CN=C(N)C=C1C |c:6,t:3| Show InChI InChI=1S/C7H12N2/c1-5-3-7(8)9-4-6(5)2/h3,6H,4H2,1-2H3,(H2,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116668 (4-Methyl-6-propyl-5,6-dihydro-1H-pyridin-(2Z)-ylid...) Show SMILES CCCC1CC(C)=CC(N)=N1 |c:6,9| Show InChI InChI=1S/C9H16N2/c1-3-4-8-5-7(2)6-9(10)11-8/h6,8H,3-5H2,1-2H3,(H2,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116666 (4-Methyl-3,6-dihydro-1H-pyridin-(2Z)-ylideneamine ...) Show SMILES CC1=CC(N)=NCC1 |c:4,t:1| Show InChI InChI=1S/C6H10N2/c1-5-2-3-8-6(7)4-5/h4H,2-3H2,1H3,(H2,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50237936 (4-Ethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneamine |...) Show SMILES CCC1=CC(N)=NCC1 |c:5,t:2| Show InChI InChI=1S/C7H12N2/c1-2-6-3-4-9-7(8)5-6/h5H,2-4H2,1H3,(H2,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116677 ((4aR,8aR)-4-Methyl-4a,5,6,7,8,8a-hexahydro-1H-quin...) Show SMILES CC1=CC(N)=N[C@@H]2CCCC[C@H]12 |c:4,t:1| Show InChI InChI=1S/C10H16N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h6,8-9H,2-5H2,1H3,(H2,11,12)/t8-,9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50237936 (4-Ethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneamine |...) Show SMILES CCC1=CC(N)=NCC1 |c:5,t:2| Show InChI InChI=1S/C7H12N2/c1-2-6-3-4-9-7(8)5-6/h5H,2-4H2,1H3,(H2,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116667 (4,5,5-Trimethyl-5,6-dihydro-1H-pyridin-(2Z)-yliden...) Show SMILES CC1=CC(N)=NCC1(C)C |c:4,t:1| Show InChI InChI=1S/C8H14N2/c1-6-4-7(9)10-5-8(6,2)3/h4H,5H2,1-3H3,(H2,9,10)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50116669 (5,5-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...) Show SMILES CC1(C)CN=C(N)C=C1 |c:7,t:4| Show InChI InChI=1S/C7H12N2/c1-7(2)4-3-6(8)9-5-7/h3-4H,5H2,1-2H3,(H2,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Concentration required to inhibit human Inducible nitric oxide synthase over expressed in A549 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116677 ((4aR,8aR)-4-Methyl-4a,5,6,7,8,8a-hexahydro-1H-quin...) Show SMILES CC1=CC(N)=N[C@@H]2CCCC[C@H]12 |c:4,t:1| Show InChI InChI=1S/C10H16N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h6,8-9H,2-5H2,1H3,(H2,11,12)/t8-,9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50116669 (5,5-Dimethyl-5,6-dihydro-1H-pyridin-(2Z)-ylideneam...) Show SMILES CC1(C)CN=C(N)C=C1 |c:7,t:4| Show InChI InChI=1S/C7H12N2/c1-7(2)4-3-6(8)9-5-7/h3-4H,5H2,1-2H3,(H2,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fukui Research Institute Curated by ChEMBL					Assay Description Inhibition of human endothelial Nitric Oxide Synthase expressed in Sf-21 cells				Bioorg Med Chem Lett 12: 2291-4 (2002) BindingDB Entry DOI: 10.7270/Q2M32V3P
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50250632 (CHEMBL4100785) Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCC3Cc4ccccc4C3)ccc12 |c:1| Show InChI InChI=1S/C26H29NO3/c1-17-22(13-27-14-23(15-27)26(28)29)7-6-21-12-24(8-9-25(17)21)30-16-18-10-19-4-2-3-5-20(19)11-18/h2-5,8-9,12,18,23H,6-7,10-11,13-16H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.90	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins follo...				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50250636 (CHEMBL4085321) Show SMILES COc1cc(CC(C)C)ccc1COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1 |t:20| Show InChI InChI=1S/C28H35NO4/c1-18(2)11-20-5-6-23(27(12-20)32-4)17-33-25-9-10-26-19(3)22(8-7-21(26)13-25)14-29-15-24(16-29)28(30)31/h5-6,9-10,12-13,18,24H,7-8,11,14-17H2,1-4H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins follo...				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50250623 (CHEMBL4103252) Show SMILES CC(C)Cc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)cc1 |t:15| Show InChI InChI=1S/C27H33NO3/c1-18(2)12-20-4-6-21(7-5-20)17-31-25-10-11-26-19(3)23(9-8-22(26)13-25)14-28-15-24(16-28)27(29)30/h4-7,10-11,13,18,24H,8-9,12,14-17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins follo...				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50250629 (CHEMBL4074505) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)n1 |t:14| Show InChI InChI=1S/C26H32N2O4/c1-4-5-22-9-8-20(25(27-22)31-3)16-32-23-10-11-24-17(2)19(7-6-18(24)12-23)13-28-14-21(15-28)26(29)30/h8-12,21H,4-7,13-16H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins follo...				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50250637 (CHEMBL4087932) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2C)c(OC)n1 |t:14| Show InChI InChI=1S/C27H34N2O4/c1-5-6-22-9-7-20(26(28-22)32-4)16-33-25-12-11-23-17(2)19(8-10-24(23)18(25)3)13-29-14-21(15-29)27(30)31/h7,9,11-12,21H,5-6,8,10,13-16H2,1-4H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.920	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P5 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50250631 (CHEMBL4093489) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins follo...				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50250615 (CHEMBL4077888) Show SMILES CCCc1cc(OC)c(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)cn1 |t:16| Show InChI InChI=1S/C26H32N2O4/c1-4-5-22-11-25(31-3)20(12-27-22)16-32-23-8-9-24-17(2)19(7-6-18(24)10-23)13-28-14-21(15-28)26(29)30/h8-12,21H,4-7,13-16H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins follo...				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50250636 (CHEMBL4085321) Show SMILES COc1cc(CC(C)C)ccc1COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1 |t:20| Show InChI InChI=1S/C28H35NO4/c1-18(2)11-20-5-6-23(27(12-20)32-4)17-33-25-9-10-26-19(3)22(8-7-21(26)13-25)14-29-15-24(16-29)28(30)31/h5-6,9-10,12-13,18,24H,7-8,11,14-17H2,1-4H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins follo...				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Rattus norvegicus)	BDBM50250631 (CHEMBL4093489) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0286	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from rat S1P1 receptor after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50250632 (CHEMBL4100785) Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCC3Cc4ccccc4C3)ccc12 |c:1| Show InChI InChI=1S/C26H29NO3/c1-17-22(13-27-14-23(15-27)26(28)29)7-6-21-12-24(8-9-25(17)21)30-16-18-10-19-4-2-3-5-20(19)11-18/h2-5,8-9,12,18,23H,6-7,10-11,13-16H2,1H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins follo...				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50250637 (CHEMBL4087932) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2C)c(OC)n1 |t:14| Show InChI InChI=1S/C27H34N2O4/c1-5-6-22-9-7-20(26(28-22)32-4)16-33-25-12-11-23-17(2)19(8-10-24(23)18(25)3)13-29-14-21(15-29)27(30)31/h7,9,11-12,21H,5-6,8,10,13-16H2,1-4H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins follo...				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50250614 (CHEMBL4095920) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2C)c(OC)c1 |t:14| Show InChI InChI=1S/C28H35NO4/c1-5-6-20-7-8-22(27(13-20)32-4)17-33-26-12-11-24-18(2)21(9-10-25(24)19(26)3)14-29-15-23(16-29)28(30)31/h7-8,11-13,23H,5-6,9-10,14-17H2,1-4H3,(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.980	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P5 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50250628 (CHEMBL4062652) Show SMILES CC1=C(CN2CC(C2)C(O)=O)CCc2cc(OCc3ccc4ccccc4c3)ccc12 |c:1| Show InChI InChI=1S/C27H27NO3/c1-18-23(14-28-15-24(16-28)27(29)30)9-8-22-13-25(10-11-26(18)22)31-17-19-6-7-20-4-2-3-5-21(20)12-19/h2-7,10-13,24H,8-9,14-17H2,1H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins follo...				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50250637 (CHEMBL4087932) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2C)c(OC)n1 |t:14| Show InChI InChI=1S/C27H34N2O4/c1-5-6-22-9-7-20(26(28-22)32-4)16-33-25-12-11-23-17(2)19(8-10-24(23)18(25)3)13-29-14-21(15-29)27(30)31/h7,9,11-12,21H,5-6,8,10,13-16H2,1-4H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins follo...				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50250631 (CHEMBL4093489) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins follo...				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50250631 (CHEMBL4093489) Show SMILES CCCc1ccc(COc2ccc3C(C)=C(CN4CC(C4)C(O)=O)CCc3c2)c(OC)c1 |t:14| Show InChI InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0270	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by E...				J Med Chem 60: 9508-9530 (2017) Article DOI: 10.1021/acs.jmedchem.7b00785 BindingDB Entry DOI: 10.7270/Q2J968SK
					More data for this Ligand-Target Pair

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