Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'koo' and Initial = 'ss'   

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))	BDBM130386 (US8822510, 4) Show SMILES Cc1cc(cc(C)c1OC[C@@H](O)CO)-c1noc(CCC2(CCCCC2)c2ccc(F)cc2)n1 Show InChI InChI=1S/C27H33FN2O4/c1-18-14-20(15-19(2)25(18)33-17-23(32)16-31)26-29-24(34-30-26)10-13-27(11-4-3-5-12-27)21-6-8-22(28)9-7-21/h6-9,14-15,23,31-32H,3-5,10-13,16-17H2,1-2H3/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...				US Patent US8822510 (2014) BindingDB Entry DOI: 10.7270/Q2H70DHC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM130392 (US8822510, 63) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(CCC3(CCCCC3)c3ccc(F)cc3)n2)C1 Show InChI InChI=1S/C27H30FN3O3/c28-23-10-8-22(9-11-23)27(13-2-1-3-14-27)15-12-24-29-25(30-34-24)20-6-4-19(5-7-20)16-31-17-21(18-31)26(32)33/h4-11,21H,1-3,12-18H2,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...				US Patent US8822510 (2014) BindingDB Entry DOI: 10.7270/Q2H70DHC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM130390 (US8822510, 18) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(COCC3(CCCCC3)c3ccc(F)cc3)n2)C1 Show InChI InChI=1S/C27H30FN3O4/c28-23-10-8-22(9-11-23)27(12-2-1-3-13-27)18-34-17-24-29-25(30-35-24)20-6-4-19(5-7-20)14-31-15-21(16-31)26(32)33/h4-11,21H,1-3,12-18H2,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...				US Patent US8822510 (2014) BindingDB Entry DOI: 10.7270/Q2H70DHC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM130387 (US8822510, 9) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(CCCC3(CCCCC3)c3ccc(F)cc3)n2)C1 Show InChI InChI=1S/C28H32FN3O3/c29-24-12-10-23(11-13-24)28(14-2-1-3-15-28)16-4-5-25-30-26(31-35-25)21-8-6-20(7-9-21)17-32-18-22(19-32)27(33)34/h6-13,22H,1-5,14-19H2,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...				US Patent US8822510 (2014) BindingDB Entry DOI: 10.7270/Q2H70DHC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM130396 (US8822510, 98) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(CCCC3(CCCCC3)c3ccc(Cl)cc3)n2)C1 Show InChI InChI=1S/C28H32ClN3O3/c29-24-12-10-23(11-13-24)28(14-2-1-3-15-28)16-4-5-25-30-26(31-35-25)21-8-6-20(7-9-21)17-32-18-22(19-32)27(33)34/h6-13,22H,1-5,14-19H2,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.540	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...				US Patent US8822510 (2014) BindingDB Entry DOI: 10.7270/Q2H70DHC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM130388 (US8822510, 11) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(CCCC3(CCCCC3=O)c3ccccc3)n2)C1 Show InChI InChI=1S/C28H31N3O4/c32-24-9-4-5-15-28(24,23-7-2-1-3-8-23)16-6-10-25-29-26(30-35-25)21-13-11-20(12-14-21)17-31-18-22(19-31)27(33)34/h1-3,7-8,11-14,22H,4-6,9-10,15-19H2,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.68	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...				US Patent US8822510 (2014) BindingDB Entry DOI: 10.7270/Q2H70DHC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM130397 (US8822510, 100) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(C\C=C\C3(CCCCC3)c3ccc(F)cc3)n2)C1 Show InChI InChI=1S/C28H30FN3O3/c29-24-12-10-23(11-13-24)28(14-2-1-3-15-28)16-4-5-25-30-26(31-35-25)21-8-6-20(7-9-21)17-32-18-22(19-32)27(33)34/h4,6-13,16,22H,1-3,5,14-15,17-19H2,(H,33,34)/b16-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...				US Patent US8822510 (2014) BindingDB Entry DOI: 10.7270/Q2H70DHC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM130391 (US8822510, 52) Show SMILES Cc1cc(cc(C)c1OC[C@@H](O)CO)-c1noc(\C=C\C2(CCCCC2)c2ccc(Cl)cc2)n1 Show InChI InChI=1S/C27H31ClN2O4/c1-18-14-20(15-19(2)25(18)33-17-23(32)16-31)26-29-24(34-30-26)10-13-27(11-4-3-5-12-27)21-6-8-22(28)9-7-21/h6-10,13-15,23,31-32H,3-5,11-12,16-17H2,1-2H3/b13-10+/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	5.75	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...				US Patent US8822510 (2014) BindingDB Entry DOI: 10.7270/Q2H70DHC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM130400 (US8822510, 143) Show SMILES OC(=O)C1CN(Cc2ccc(-c3noc(COCC4(CCC4)c4ccc(Cl)cc4)n3)c(F)c2)C1 Show InChI InChI=1S/C25H25ClFN3O4/c26-19-5-3-18(4-6-19)25(8-1-9-25)15-33-14-22-28-23(29-34-22)20-7-2-16(10-21(20)27)11-30-12-17(13-30)24(31)32/h2-7,10,17H,1,8-9,11-15H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.72	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...				US Patent US8822510 (2014) BindingDB Entry DOI: 10.7270/Q2H70DHC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM130399 (US8822510, 141) Show SMILES OC(=O)C1CN(Cc2ccc(-c3noc(COCC4(CCC4)c4ccc(Cl)cc4)n3)c(Cl)c2)C1 Show InChI InChI=1S/C25H25Cl2N3O4/c26-19-5-3-18(4-6-19)25(8-1-9-25)15-33-14-22-28-23(29-34-22)20-7-2-16(10-21(20)27)11-30-12-17(13-30)24(31)32/h2-7,10,17H,1,8-9,11-15H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.0	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...				US Patent US8822510 (2014) BindingDB Entry DOI: 10.7270/Q2H70DHC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM130394 (US8822510, 88) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(\C=C\C3(CCCCC3)c3ccc(cc3)C(F)(F)F)n2)C1 Show InChI InChI=1S/C28H28F3N3O3/c29-28(30,31)23-10-8-22(9-11-23)27(13-2-1-3-14-27)15-12-24-32-25(33-37-24)20-6-4-19(5-7-20)16-34-17-21(18-34)26(35)36/h4-12,15,21H,1-3,13-14,16-18H2,(H,35,36)/b15-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26.7	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...				US Patent US8822510 (2014) BindingDB Entry DOI: 10.7270/Q2H70DHC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM130395 (US8822510, 92) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(\C=C\C3(CCCCC3)c3ccc(Cl)cc3)n2)C1 Show InChI InChI=1S/C27H28ClN3O3/c28-23-10-8-22(9-11-23)27(13-2-1-3-14-27)15-12-24-29-25(30-34-24)20-6-4-19(5-7-20)16-31-17-21(18-31)26(32)33/h4-12,15,21H,1-3,13-14,16-18H2,(H,32,33)/b15-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	45.6	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...				US Patent US8822510 (2014) BindingDB Entry DOI: 10.7270/Q2H70DHC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM130393 (US8822510, 85) Show SMILES OC(C(F)(F)c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1)C1(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H22ClF2N3O4/c25-18-7-5-17(6-8-18)23(9-10-23)21(33)24(26,27)22-28-19(29-34-22)15-3-1-14(2-4-15)11-30-12-16(13-30)20(31)32/h1-8,16,21,33H,9-13H2,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	135	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...				US Patent US8822510 (2014) BindingDB Entry DOI: 10.7270/Q2H70DHC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM130389 (US8822510, 19) Show SMILES Clc1ccc(cc1)C1(COCc2nc(no2)-c2ccc(CN3CC4(C3)NC(=O)NC4=O)cc2)CCC1 Show InChI InChI=1S/C26H26ClN5O4/c27-20-8-6-19(7-9-20)25(10-1-11-25)16-35-13-21-28-22(31-36-21)18-4-2-17(3-5-18)12-32-14-26(15-32)23(33)29-24(34)30-26/h2-9H,1,10-16H2,(H2,29,30,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	447	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...				US Patent US8822510 (2014) BindingDB Entry DOI: 10.7270/Q2H70DHC
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM130398 (US8822510, 108) Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(CCC3(CCOCC3)c3cccnc3)n2)C1 Show InChI InChI=1S/C25H28N4O4/c30-24(31)20-16-29(17-20)15-18-3-5-19(6-4-18)23-27-22(33-28-23)7-8-25(9-12-32-13-10-25)21-2-1-11-26-14-21/h1-6,11,14,20H,7-10,12-13,15-17H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	861	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...				US Patent US8822510 (2014) BindingDB Entry DOI: 10.7270/Q2H70DHC
					More data for this Ligand-Target Pair