Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 11 entry = 50014862   

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 2 (Homo sapiens (Human))	BDBM50148394 (CHEMBL118860 | [3-(4-Nonyl-benzylamino)-propyl]-ph...) Show SMILES CCCCCCCCCc1ccc(CNCCCP(O)(O)=O)cc1 Show InChI InChI=1S/C19H34NO3P/c1-2-3-4-5-6-7-8-10-18-11-13-19(14-12-18)17-20-15-9-16-24(21,22)23/h11-14,20H,2-10,15-17H2,1H3,(H2,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand				Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50148426 (CHEMBL323617 | {3-[4-(5-Heptyl-[1,2,4]oxadiazol-3-...) Show SMILES CCCCCCCc1nc(no1)-c1ccc(CNCCCP(O)(O)=O)cc1 Show InChI InChI=1S/C19H30N3O4P/c1-2-3-4-5-6-8-18-21-19(22-26-18)17-11-9-16(10-12-17)15-20-13-7-14-27(23,24)25/h9-12,20H,2-8,13-15H2,1H3,(H2,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand				Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50148415 (CHEMBL117007 | {3-[4-(1-Hydroxy-nonyl)-benzylamino...) Show SMILES CCCCCCCCC(O)c1ccc(CNCCCP(O)(O)=O)cc1 Show InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-9-19(21)18-12-10-17(11-13-18)16-20-14-8-15-25(22,23)24/h10-13,19-21H,2-9,14-16H2,1H3,(H2,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand				Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50148428 (CHEMBL325247 | [3-(3-Bromo-4-hexyloxy-5-methoxy-be...) Show SMILES CCCCCCOc1c(Br)cc(CNCCCP(O)(O)=O)cc1OC Show InChI InChI=1S/C17H29BrNO5P/c1-3-4-5-6-9-24-17-15(18)11-14(12-16(17)23-2)13-19-8-7-10-25(20,21)22/h11-12,19H,3-10,13H2,1-2H3,(H2,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand				Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50148421 (CHEMBL119413 | [3-(3-Chloro-4-octyloxy-benzylamino...) Show SMILES CCCCCCCCOc1ccc(CNCCCP(O)(O)=O)cc1Cl Show InChI InChI=1S/C18H31ClNO4P/c1-2-3-4-5-6-7-12-24-18-10-9-16(14-17(18)19)15-20-11-8-13-25(21,22)23/h9-10,14,20H,2-8,11-13,15H2,1H3,(H2,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand				Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50148438 (CHEMBL119354 | [3-(3-Bromo-4-octyloxy-benzylamino)...) Show SMILES CCCCCCCCOc1ccc(CNCCCP(O)(O)=O)cc1Br Show InChI InChI=1S/C18H31BrNO4P/c1-2-3-4-5-6-7-12-24-18-10-9-16(14-17(18)19)15-20-11-8-13-25(21,22)23/h9-10,14,20H,2-8,11-13,15H2,1H3,(H2,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand				Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50148435 (CHEMBL119116 | [3-(3,5-Dichloro-4-octyloxy-benzyla...) Show SMILES CCCCCCCCOc1c(Cl)cc(CNCCCP(O)(O)=O)cc1Cl Show InChI InChI=1S/C18H30Cl2NO4P/c1-2-3-4-5-6-7-10-25-18-16(19)12-15(13-17(18)20)14-21-9-8-11-26(22,23)24/h12-13,21H,2-11,14H2,1H3,(H2,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand				Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50148432 (CHEMBL119440 | [3-(3,5-Dimethyl-4-octyloxy-benzyla...) Show SMILES CCCCCCCCOc1c(C)cc(CNCCCP(O)(O)=O)cc1C Show InChI InChI=1S/C20H36NO4P/c1-4-5-6-7-8-9-12-25-20-17(2)14-19(15-18(20)3)16-21-11-10-13-26(22,23)24/h14-15,21H,4-13,16H2,1-3H3,(H2,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand				Bioorg Med Chem Lett 14: 3501-5 (2004) Article DOI: 10.1016/j.bmcl.2004.04.070 BindingDB Entry DOI: 10.7270/Q2W66K76
					More data for this Ligand-Target Pair