Compile Data Set for Download or QSAR

Found 126 hits with Last Name = 'sauer' and Initial = 'w'   

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 1 (Homo sapiens (Human))	BDBM139210 (US8889668, I60) Show SMILES COc1ccc(F)cc1-c1noc(n1)-c1ccc(N2CCCCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F4N3O2/c1-29-18-8-6-14(22)12-15(18)19-26-20(30-27-19)13-5-7-17(16(11-13)21(23,24)25)28-9-3-2-4-10-28/h5-8,11-12H,2-4,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	-47.8	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139202 (US8889668, I32) Show SMILES COc1ccc(F)cc1-c1noc(n1)-c1ccc(N2CCCCC2C)c(c1)N([O-])=O Show InChI InChI=1S/C21H21FN4O4/c1-13-5-3-4-10-25(13)17-8-6-14(11-18(17)26(27)28)21-23-20(24-30-21)16-12-15(22)7-9-19(16)29-2/h6-9,11-13H,3-5,10H2,1-2H3/q-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	-47.8	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139198 (US8889668, I26) Show SMILES COc1ccccc1-c1noc(n1)-c1ccc(-c2ccccc2C)c(c1)N(O)=O Show InChI InChI=1S/C22H18N3O4/c1-14-7-3-4-8-16(14)17-12-11-15(13-19(17)25(26)27)22-23-21(24-29-22)18-9-5-6-10-20(18)28-2/h3-13H,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-46.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139209 (US8889668, I57) Show SMILES COc1ccccc1-c1noc(n1)-c1ccc(-c2cscc2C)c(c1)C(F)(F)F Show InChI InChI=1S/C21H15F3N2O2S/c1-12-10-29-11-16(12)14-8-7-13(9-17(14)21(22,23)24)20-25-19(26-28-20)15-5-3-4-6-18(15)27-2/h3-11H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	-46.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50131550 ((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...) Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Protein-tyrosine phosphatase 1B				J Med Chem 47: 4142-6 (2004) Article DOI: 10.1021/jm030629n BindingDB Entry DOI: 10.7270/Q2571BGC
					More data for this Ligand-Target Pair				3D Structure (docked)
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139213 (US8889668, I63) Show SMILES COc1ccc(F)cc1-c1noc(n1)-c1ccc(N2CCCCC2C)c(c1)C(F)(F)F Show InChI InChI=1S/C22H21F4N3O2/c1-13-5-3-4-10-29(13)18-8-6-14(11-17(18)22(24,25)26)21-27-20(28-31-21)16-12-15(23)7-9-19(16)30-2/h6-9,11-13H,3-5,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	-45.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139205 (US8889668, I35) Show SMILES COc1ccccc1-c1noc(n1)-c1ccc(N2CCCCC2C)c(c1)C(F)(F)F Show InChI InChI=1S/C22H22F3N3O2/c1-14-7-5-6-12-28(14)18-11-10-15(13-17(18)22(23,24)25)21-26-20(27-30-21)16-8-3-4-9-19(16)29-2/h3-4,8-11,13-14H,5-7,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	-45.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139197 (US8889668, I25) Show SMILES COc1ccccc1-c1noc(n1)-c1ccc(-c2cscc2C)c(C)c1 Show InChI InChI=1S/C21H18N2O2S/c1-13-10-15(8-9-16(13)18-12-26-11-14(18)2)21-22-20(23-25-21)17-6-4-5-7-19(17)24-3/h4-12H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	-45.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139219 (US8889668, I78) Show SMILES COc1ccc(F)cc1-c1noc(n1)-c1ccc(c(CN(C)C)c1)-c1ccccc1C Show InChI InChI=1S/C25H24FN3O2/c1-16-7-5-6-8-20(16)21-11-9-17(13-18(21)15-29(2)3)25-27-24(28-31-25)22-14-19(26)10-12-23(22)30-4/h5-14H,15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	-44.6	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139215 (US8889668, I71) Show SMILES COc1ccc(F)cc1-c1noc(n1)-c1ccc(N2CCCCC2C)c(c1)C#N Show InChI InChI=1S/C22H21FN4O2/c1-14-5-3-4-10-27(14)19-8-6-15(11-16(19)13-24)22-25-21(26-29-22)18-12-17(23)7-9-20(18)28-2/h6-9,11-12,14H,3-5,10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	-44.6	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139207 (US8889668, I48) Show SMILES COc1ccccc1-c1noc(n1)-c1ccc(-c2cscc2C)c(OC)c1 Show InChI InChI=1S/C21H18N2O3S/c1-13-11-27-12-17(13)15-9-8-14(10-19(15)25-3)21-22-20(23-26-21)16-6-4-5-7-18(16)24-2/h4-12H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	-44.6	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139214 (US8889668, I70) Show SMILES Cc1cscc1-c1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccccc1OC(F)(F)F Show InChI InChI=1S/C21H12F6N2O2S/c1-11-9-32-10-15(11)13-7-6-12(8-16(13)20(22,23)24)19-28-18(29-31-19)14-4-2-3-5-17(14)30-21(25,26)27/h2-10H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	-44.6	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139206 (US8889668, I44) Show SMILES Cc1cscc1-c1ccc(cc1C)-c1nc(no1)-c1ccccc1OC(F)(F)F Show InChI InChI=1S/C21H15F3N2O2S/c1-12-9-14(7-8-15(12)17-11-29-10-13(17)2)20-25-19(26-28-20)16-5-3-4-6-18(16)27-21(22,23)24/h3-11H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5	-44.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139204 (US8889668, I34) Show SMILES CC1CCCCN1c1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccccc1OC(F)(F)F Show InChI InChI=1S/C22H19F6N3O2/c1-13-6-4-5-11-31(13)17-10-9-14(12-16(17)21(23,24)25)20-29-19(30-33-20)15-7-2-3-8-18(15)32-22(26,27)28/h2-3,7-10,12-13H,4-6,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5	-44.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139217 (US8889668, I74) Show SMILES COc1ccc(F)cc1-c1noc(n1)-c1cnc(N2CCCCC2C)c(C)c1 Show InChI InChI=1S/C21H23FN4O2/c1-13-10-15(12-23-20(13)26-9-5-4-6-14(26)2)21-24-19(25-28-21)17-11-16(22)7-8-18(17)27-3/h7-8,10-12,14H,4-6,9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	-43.6	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139193 (US8889668, I18) Show SMILES COc1ccccc1-c1noc(n1)-c1ccc(N2CCOCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C20H18F3N3O3/c1-27-17-5-3-2-4-14(17)18-24-19(29-25-18)13-6-7-16(15(12-13)20(21,22)23)26-8-10-28-11-9-26/h2-7,12H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	7	-43.3	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139212 (US8889668, I62) Show SMILES COc1ccccc1-c1noc(n1)-c1ccc(-c2ccccc2C)c(c1)C(F)(F)F Show InChI InChI=1S/C23H17F3N2O2/c1-14-7-3-4-8-16(14)17-12-11-15(13-19(17)23(24,25)26)22-27-21(28-30-22)18-9-5-6-10-20(18)29-2/h3-13H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8	-43.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139208 (US8889668, I55) Show SMILES Cc1ccccc1-c1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccccc1OC(F)(F)F Show InChI InChI=1S/C23H14F6N2O2/c1-13-6-2-3-7-15(13)16-11-10-14(12-18(16)22(24,25)26)21-30-20(31-33-21)17-8-4-5-9-19(17)32-23(27,28)29/h2-12H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8	-43.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139195 (US8889668, I21) Show SMILES Cc1ccccc1-c1ccc(cc1C)-c1nc(no1)-c1ccccc1OC(F)(F)F Show InChI InChI=1S/C23H17F3N2O2/c1-14-7-3-4-8-17(14)18-12-11-16(13-15(18)2)22-27-21(28-30-22)19-9-5-6-10-20(19)29-23(24,25)26/h3-13H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	8	-43.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139189 (US8889668, I1) Show SMILES COc1ccccc1-c1noc(n1)-c1ccc(N2CCCCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C20H20N4O4/c1-27-18-8-4-3-7-15(18)19-21-20(28-22-19)14-9-10-16(17(13-14)24(25)26)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11	-42.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139194 (US8889668, I20) Show SMILES COc1ccccc1-c1noc(n1)-c1ccc(c(C)c1)-c1ccccc1C Show InChI InChI=1S/C23H20N2O2/c1-15-8-4-5-9-18(15)19-13-12-17(14-16(19)2)23-24-22(25-27-23)20-10-6-7-11-21(20)26-3/h4-14H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	16	-41.4	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139196 (US8889668, I23) Show SMILES Cc1cc(ccc1-c1ccccc1C(F)(F)F)-c1nc(no1)-c1ccccc1OC(F)(F)F Show InChI InChI=1S/C23H14F6N2O2/c1-13-12-14(10-11-15(13)16-6-2-4-8-18(16)22(24,25)26)21-30-20(31-33-21)17-7-3-5-9-19(17)32-23(27,28)29/h2-12H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	16	-41.4	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139190 (US8889668, I2) Show SMILES COc1ccccc1-c1noc(n1)-c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C19H18N4O5/c1-26-17-5-3-2-4-14(17)18-20-19(28-21-18)13-6-7-15(16(12-13)23(24)25)22-8-10-27-11-9-22/h2-7,12H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	18	-41.1	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50151008 ((7S)-2-[(carboxycarbonyl)amino]-7-({[(5-fluoro-1H-...) Show SMILES OC(=O)C(=O)Nc1sc2C(CNC(=O)c3cc4cc(F)ccc4[nH]3)NCCc2c1C(O)=O Show InChI InChI=1S/C20H17FN4O6S/c21-9-1-2-11-8(5-9)6-12(24-11)16(26)23-7-13-15-10(3-4-22-13)14(19(28)29)18(32-15)25-17(27)20(30)31/h1-2,5-6,13,22,24H,3-4,7H2,(H,23,26)(H,25,27)(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Protein-tyrosine phosphatase 1B at pH 5.5				J Med Chem 47: 4142-6 (2004) Article DOI: 10.1021/jm030629n BindingDB Entry DOI: 10.7270/Q2571BGC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139199 (US8889668, I27) Show SMILES COc1ccccc1-c1noc(n1)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C21H22N2O2/c1-24-19-10-6-5-9-18(19)20-22-21(25-23-20)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h5-6,9-15H,2-4,7-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	20	-40.8	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139201 (US8889668, I29) Show SMILES FC(F)(F)Oc1ccccc1-c1noc(n1)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C21H19F3N2O2/c22-21(23,24)27-18-9-5-4-8-17(18)19-25-20(28-26-19)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	25	-40.3	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139203 (US8889668, I33) Show SMILES COc1ccc(F)cc1-c1noc(n1)-c1ccc(c(C)c1)-c1ccccc1C Show InChI InChI=1S/C23H19FN2O2/c1-14-6-4-5-7-18(14)19-10-8-16(12-15(19)2)23-25-22(26-28-23)20-13-17(24)9-11-21(20)27-3/h4-13H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	43	-39.1	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139216 (US8889668, I72) Show SMILES COc1ccc(F)cc1-c1noc(n1)-c1ccc(N2CCCCC2C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C22H25FN4O4S/c1-14-6-4-5-11-27(14)19-9-7-15(12-18(19)26-32(3,28)29)22-24-21(25-31-22)17-13-16(23)8-10-20(17)30-2/h7-10,12-14,26H,4-6,11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	46	-38.9	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139218 (US8889668, I77) Show SMILES COc1ccc(F)cc1-c1noc(n1)-c1ccc(c(CO)c1)-c1ccccc1C Show InChI InChI=1S/C23H19FN2O3/c1-14-5-3-4-6-18(14)19-9-7-15(11-16(19)13-27)23-25-22(26-29-23)20-12-17(24)8-10-21(20)28-2/h3-12,27H,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	53	-38.6	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139211 (US8889668, I61) Show SMILES FC(F)(F)Oc1ccccc1-c1noc(n1)-c1ccc(N2CCCCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C21H17F6N3O2/c22-20(23,24)15-12-13(8-9-16(15)30-10-4-1-5-11-30)19-28-18(29-32-19)14-6-2-3-7-17(14)31-21(25,26)27/h2-3,6-9,12H,1,4-5,10-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	54	-38.6	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM15819 (1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCSC)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C32H40N4O10S/c1-4-21-17-20(12-13-25(21)36(29(40)32(45)46)26-10-6-5-9-22(26)30(41)42)18-24(34-19(2)37)28(39)33-15-8-7-11-27(38)35-23(31(43)44)14-16-47-3/h5-6,9-10,12-13,17,23-24H,4,7-8,11,14-16,18H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)(H,41,42)(H,43,44)(H,45,46)/t23-,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against Protein-tyrosine phosphatase 1B				J Med Chem 47: 4142-6 (2004) Article DOI: 10.1021/jm030629n BindingDB Entry DOI: 10.7270/Q2571BGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139200 (US8889668, I28) Show SMILES COc1ccccc1-c1noc(n1)-c1ccc(CC(C)C)cc1 Show InChI InChI=1S/C19H20N2O2/c1-13(2)12-14-8-10-15(11-9-14)19-20-18(21-23-19)16-6-4-5-7-17(16)22-3/h4-11,13H,12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	91	-37.4	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139191 (US8889668, I3) Show SMILES FC(F)(F)Oc1ccccc1-c1noc(n1)-c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C20H18F3N3O2/c21-20(22,23)27-17-7-3-2-6-16(17)18-24-19(28-25-18)14-8-10-15(11-9-14)26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	652	-32.8	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139192 (US8889668, I4) Show SMILES COc1ccccc1-c1noc(n1)-c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C20H21N3O2/c1-24-18-8-4-3-7-17(18)19-21-20(25-22-19)15-9-11-16(12-10-15)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.07E+3	-31.7	n/a	n/a	n/a	n/a	n/a	7.4	4
Merck Serono SA US Patent					Assay Description Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells wer...				US Patent US8889668 (2014) BindingDB Entry DOI: 10.7270/Q2V123G0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM128379 (US8802861, 50) Show SMILES CC(=O)Nc1nc(C)c(s1)-c1csc(Nc2cccc(c2)-c2nnn[nH]2)n1 Show InChI InChI=1S/C16H14N8OS2/c1-8-13(27-16(17-8)18-9(2)25)12-7-26-15(20-12)19-11-5-3-4-10(6-11)14-21-23-24-22-14/h3-7H,1-2H3,(H,19,20)(H,17,18,25)(H,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay.The assa...				US Patent US8802861 (2014) BindingDB Entry DOI: 10.7270/Q2HD7TCX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50402265 (CHEMBL2164280 | US8802861, 1) Show SMILES CC(=O)Nc1nc(C)c(s1)-c1csc(Nc2cccc(c2)C(O)=O)n1 Show InChI InChI=1S/C16H14N4O3S2/c1-8-13(25-16(17-8)18-9(2)21)12-7-24-15(20-12)19-11-5-3-4-10(6-11)14(22)23/h3-7H,1-2H3,(H,19,20)(H,22,23)(H,17,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay.The assa...				US Patent US8802861 (2014) BindingDB Entry DOI: 10.7270/Q2HD7TCX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM128377 (US8802861, 43) Show SMILES CC(=O)Nc1nc(C)c(s1)-c1csc(Nc2cccnc2F)n1 Show InChI InChI=1S/C14H12FN5OS2/c1-7-11(23-14(17-7)18-8(2)21)10-6-22-13(20-10)19-9-4-3-5-16-12(9)15/h3-6H,1-2H3,(H,19,20)(H,17,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay.The assa...				US Patent US8802861 (2014) BindingDB Entry DOI: 10.7270/Q2HD7TCX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM128383 (US8802861, 136) Show SMILES CC(=O)Nc1nc(C)c(s1)-c1csc(Nc2cccc(CCC(O)=O)c2)n1 Show InChI InChI=1S/C18H18N4O3S2/c1-10-16(27-18(19-10)20-11(2)23)14-9-26-17(22-14)21-13-5-3-4-12(8-13)6-7-15(24)25/h3-5,8-9H,6-7H2,1-2H3,(H,21,22)(H,24,25)(H,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay.The assa...				US Patent US8802861 (2014) BindingDB Entry DOI: 10.7270/Q2HD7TCX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM128382 (US8802861, 84) Show SMILES CC(=O)Nc1nc(C)c(s1)-c1csc(NCCC(N)=O)n1 Show InChI InChI=1S/C12H15N5O2S2/c1-6-10(21-12(15-6)16-7(2)18)8-5-20-11(17-8)14-4-3-9(13)19/h5H,3-4H2,1-2H3,(H2,13,19)(H,14,17)(H,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay.The assa...				US Patent US8802861 (2014) BindingDB Entry DOI: 10.7270/Q2HD7TCX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM128376 (US8802861, 37) Show SMILES CC(=O)Nc1nc(C)c(s1)-c1csc(NCC(O)c2ccccc2)n1 Show InChI InChI=1S/C17H18N4O2S2/c1-10-15(25-17(19-10)20-11(2)22)13-9-24-16(21-13)18-8-14(23)12-6-4-3-5-7-12/h3-7,9,14,23H,8H2,1-2H3,(H,18,21)(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay.The assa...				US Patent US8802861 (2014) BindingDB Entry DOI: 10.7270/Q2HD7TCX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM128370 (US8802861, 7) Show SMILES CC(=O)Nc1nc(C)c(s1)-c1csc(Nc2cccnc2)n1 Show InChI InChI=1S/C14H13N5OS2/c1-8-12(22-14(16-8)17-9(2)20)11-7-21-13(19-11)18-10-4-3-5-15-6-10/h3-7H,1-2H3,(H,18,19)(H,16,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay.The assa...				US Patent US8802861 (2014) BindingDB Entry DOI: 10.7270/Q2HD7TCX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50158551 (CHEMBL383955 | N-((5-(4-(1H-benzo[d][1,2,3]triazol...) Show SMILES Clc1ccc(cc1)C(=O)NCc1ccc(s1)S(=O)(=O)N1CCC(CC1)n1nnc2ccccc12 Show InChI InChI=1S/C23H22ClN5O3S2/c24-17-7-5-16(6-8-17)23(30)25-15-19-9-10-22(33-19)34(31,32)28-13-11-18(12-14-28)29-21-4-2-1-3-20(21)26-27-29/h1-10,18H,11-15H2,(H,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Serono Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human JNK3				J Med Chem 47: 6921-34 (2004) Article DOI: 10.1021/jm031112e BindingDB Entry DOI: 10.7270/Q2XG9QM0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM128381 (US8802861, 77) Show SMILES CC(=O)NCCNc1nc(cs1)-c1sc(NC(C)=O)nc1C Show InChI InChI=1S/C13H17N5O2S2/c1-7-11(22-13(16-7)17-9(3)20)10-6-21-12(18-10)15-5-4-14-8(2)19/h6H,4-5H2,1-3H3,(H,14,19)(H,15,18)(H,16,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay.The assa...				US Patent US8802861 (2014) BindingDB Entry DOI: 10.7270/Q2HD7TCX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM128369 (US8802861, 6) Show SMILES CC(=O)Nc1nc(C)c(s1)-c1csc(NCC=C)n1 Show InChI InChI=1S/C12H14N4OS2/c1-4-5-13-11-16-9(6-18-11)10-7(2)14-12(19-10)15-8(3)17/h4,6H,1,5H2,2-3H3,(H,13,16)(H,14,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay.The assa...				US Patent US8802861 (2014) BindingDB Entry DOI: 10.7270/Q2HD7TCX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM128373 (US8802861, 22) Show SMILES CC(=O)Nc1nc(C)c(s1)-c1csc(NC(C)(C)C)n1 Show InChI InChI=1S/C13H18N4OS2/c1-7-10(20-11(14-7)15-8(2)18)9-6-19-12(16-9)17-13(3,4)5/h6H,1-5H3,(H,16,17)(H,14,15,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	314	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay.The assa...				US Patent US8802861 (2014) BindingDB Entry DOI: 10.7270/Q2HD7TCX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM128375 (US8802861, 33) Show SMILES COCCNc1nc(cs1)-c1sc(NC(C)=O)nc1C Show InChI InChI=1S/C12H16N4O2S2/c1-7-10(20-12(14-7)15-8(2)17)9-6-19-11(16-9)13-4-5-18-3/h6H,4-5H2,1-3H3,(H,13,16)(H,14,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	355	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay.The assa...				US Patent US8802861 (2014) BindingDB Entry DOI: 10.7270/Q2HD7TCX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM128380 (US8802861, 56) Show SMILES CC(=O)Nc1nc(C)c(s1)-c1csc(NCCc2n[n-]c(=O)o2)n1 Show InChI InChI=1S/C13H14N6O3S2/c1-6-10(24-12(15-6)16-7(2)20)8-5-23-11(17-8)14-4-3-9-18-19-13(21)22-9/h5H,3-4H2,1-2H3,(H3,14,15,16,17,19,20,21)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	377	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay.The assa...				US Patent US8802861 (2014) BindingDB Entry DOI: 10.7270/Q2HD7TCX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM128371 (US8802861, 14) Show SMILES CC(=O)Nc1nc(C)c(s1)-c1csc(N)n1 Show InChI InChI=1S/C9H10N4OS2/c1-4-7(6-3-15-8(10)13-6)16-9(11-4)12-5(2)14/h3H,1-2H3,(H2,10,13)(H,11,12,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	575	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay.The assa...				US Patent US8802861 (2014) BindingDB Entry DOI: 10.7270/Q2HD7TCX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM128378 (US8802861, 45) Show SMILES CCOC(CCNc1nc(cs1)-c1sc(NC(C)=O)nc1C)OCC Show InChI InChI=1S/C16H24N4O3S2/c1-5-22-13(23-6-2)7-8-17-15-20-12(9-24-15)14-10(3)18-16(25-14)19-11(4)21/h9,13H,5-8H2,1-4H3,(H,17,20)(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	612	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay.The assa...				US Patent US8802861 (2014) BindingDB Entry DOI: 10.7270/Q2HD7TCX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM128368 (US8802861, 5) Show SMILES CC(=O)Nc1nc(C)c(s1)-c1csc(n1)N1CCCCC1 Show InChI InChI=1S/C14H18N4OS2/c1-9-12(21-13(15-9)16-10(2)19)11-8-20-14(17-11)18-6-4-3-5-7-18/h8H,3-7H2,1-2H3,(H,15,16,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay.The assa...				US Patent US8802861 (2014) BindingDB Entry DOI: 10.7270/Q2HD7TCX
					More data for this Ligand-Target Pair

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