Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'tramposch' and Initial = 'km'   

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
P-selectin (Homo sapiens (Human))	BDBM50061136 ((2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(OS([O-])(=O)=O)C(OCc2ccccc2)C1OCc1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C61H95NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-44-55(70-46-51-38-30-27-31-39-51)54(62-57(63)45-37-26-24-22-20-18-16-14-12-10-8-6-4-2)49-73-61-60(72-48-53-42-34-29-35-43-53)59(71-47-52-40-32-28-33-41-52)58(76-78(67,68)69)56(75-61)50-74-77(64,65)66/h27-36,38-44,54-56,58-61H,3-26,37,45-50H2,1-2H3,(H,62,63)(H,64,65,66)(H,67,68,69)/p-2/b44-36+/t54-,55+,56?,58?,59?,60?,61?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061130 ((2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC2COC(OC2C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)c1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C54H87NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-33-39-47(63-41-44-35-29-27-30-36-44)46(55-49(56)40-34-26-24-22-20-18-16-14-12-10-8-6-4-2)42-64-54-52(69-71(60,61)62)51(68-70(57,58)59)50-48(66-54)43-65-53(67-50)45-37-31-28-32-38-45/h27-33,35-39,46-48,50-54H,3-26,34,40-43H2,1-2H3,(H,55,56)(H,57,58,59)(H,60,61,62)/p-2/b39-33+/t46-,47+,48?,50?,51?,52?,53?,54?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061124 ((2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C47H83NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(58-37-39-32-28-27-29-33-39)40(48-43(50)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2)38-59-47-46(62-64(55,56)57)45(61-63(52,53)54)44(51)42(36-49)60-47/h27-30,32-34,40-42,44-47,49,51H,3-26,31,35-38H2,1-2H3,(H,48,50)(H,52,53,54)(H,55,56,57)/p-2/b34-30+/t40-,41+,42?,44?,45?,46?,47?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50369315 (CHEMBL1627019) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-52-40-39(55-57(49,50)51)38(54-56(46,47)48)37(45)35(31-42)53-40/h27,29,33-35,37-40,42-43,45H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,46,47,48)(H,49,50,51)/p-2/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061125 ((2S,3R,4E)-2-(hexadecanoylamino)-3-(benzoyloxy)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(O)C1O)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C47H83NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(56-36-39-32-28-27-29-33-39)40(37-57-47-46(52)45(51)44(50)42(59-47)38-58-60(53,54)55)48-43(49)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-30,32-34,40-42,44-47,50-52H,3-26,31,35-38H2,1-2H3,(H,48,49)(H,53,54,55)/p-1/b34-30+/t40-,41+,42?,44?,45?,46?,47?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061133 ((2S,3R,4E)-2-(Hexadecanoylamino)-3-hydroxy-1-[[3-O...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(OS([O-])(=O)=O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-38(46)39(52-53(47,48)49)37(45)35(31-42)51-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/p-1/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061128 (1N-[2-hydroxy-1-(5-hydroxy-6-hydroxymethyltetrahyd...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1CC(OS([O-])(=O)=O)C(O)C(CO)O1)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO10S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(43)34(33-49-39-31-36(51-52(46,47)48)40(45)37(32-42)50-39)41-38(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,34-37,39-40,42-43,45H,3-26,28,30-33H2,1-2H3,(H,41,44)(H,46,47,48)/p-1/b29-27+/t34-,35+,36?,37?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061122 ((2S,3R,4E)-2-(Hexadecanoylamino)-3-(benzoyloxy)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(O)C1OS([O-])(=O)=O)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C47H83NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(58-36-39-32-28-27-29-33-39)40(48-43(49)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2)37-59-47-46(62-64(55,56)57)45(51)44(50)42(61-47)38-60-63(52,53)54/h27-30,32-34,40-42,44-47,50-51H,3-26,31,35-38H2,1-2H3,(H,48,49)(H,52,53,54)(H,55,56,57)/p-2/b34-30+/t40-,41+,42?,44?,45?,46?,47?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061132 ((2S,3R,4E)-2-(Hexadecanoylamino)-3-hydroxy-1-[[2,6...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(O)C1OS([O-])(=O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)33(41-36(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)31-52-40-39(55-57(49,50)51)38(45)37(44)35(54-40)32-53-56(46,47)48/h27,29,33-35,37-40,42,44-45H,3-26,28,30-32H2,1-2H3,(H,41,43)(H,46,47,48)(H,49,50,51)/p-2/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061135 ((2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(OC(C)=O)C(OS([O-])(=O)=O)C1OCc1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C56H91NO15S2/c1-4-6-8-10-12-14-16-18-20-22-24-26-34-40-50(66-42-47-36-30-28-31-37-47)49(57-52(59)41-35-27-25-23-21-19-17-15-13-11-9-7-5-2)44-68-56-55(67-43-48-38-32-29-33-39-48)54(72-74(63,64)65)53(70-46(3)58)51(71-56)45-69-73(60,61)62/h28-34,36-40,49-51,53-56H,4-27,35,41-45H2,1-3H3,(H,57,59)(H,60,61,62)(H,63,64,65)/p-2/b40-34+/t49-,50+,51?,53?,54?,55?,56?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061137 ((2S,3R,4E)-3-Hydroxy-2-(hexadecanoylamino)-1-[[4,6...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(OS([O-])(=O)=O)C(O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)33(41-36(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)31-52-40-38(45)37(44)39(55-57(49,50)51)35(54-40)32-53-56(46,47)48/h27,29,33-35,37-40,42,44-45H,3-26,28,30-32H2,1-2H3,(H,41,43)(H,46,47,48)(H,49,50,51)/p-2/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50291391 (3-[(E)-1-((E)-2-Carboxy-1-methyl-vinyl)-4-(5,5,8,8...) Show SMILES C\C(=C/C(O)=O)\C(=C\CCc1ccc2cc3c(cc2c1)C(C)(C)CCC3(C)C)\c1cccc(c1)C(O)=O Show InChI InChI=1S/C33H36O4/c1-21(16-30(34)35)27(24-9-7-10-25(18-24)31(36)37)11-6-8-22-12-13-23-19-28-29(20-26(23)17-22)33(4,5)15-14-32(28,2)3/h7,9-13,16-20H,6,8,14-15H2,1-5H3,(H,34,35)(H,36,37)/b21-16+,27-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured for the inhibition of human platelet PLA2 (HP-PLA2)				Bioorg Med Chem Lett 7: 793-798 (1997) Article DOI: 10.1016/S0960-894X(97)00110-8 BindingDB Entry DOI: 10.7270/Q26D5T0F
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061131 ((2S,3R,4E)-3-Hydroxy-2-(hexadecanoylamino)-1-[[3,6...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(OS([O-])(=O)=O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)33(41-36(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)31-52-40-38(45)39(55-57(49,50)51)37(44)35(54-40)32-53-56(46,47)48/h27,29,33-35,37-40,42,44-45H,3-26,28,30-32H2,1-2H3,(H,41,43)(H,46,47,48)(H,49,50,51)/p-2/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061127 ((2S,3R,4E)-2-(Hexadecanoylamino)-3-hydroxy-1-[[2-O...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(O)C1OS([O-])(=O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-39(52-53(47,48)49)38(46)37(45)35(31-42)51-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/p-1/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50291389 (3-{(E)-3-Carbamoyl-2-methyl-1-[1-(5,5,8,8-tetramet...) Show SMILES C\C(=C/C(N)=O)\C(=C\c1ccc2cc3c(cc2c1)C(C)(C)CCC3(C)C)\c1cccc(c1)C(N)=O Show InChI InChI=1S/C31H34N2O2/c1-19(13-28(32)34)25(22-7-6-8-23(16-22)29(33)35)15-20-9-10-21-17-26-27(18-24(21)14-20)31(4,5)12-11-30(26,2)3/h6-10,13-18H,11-12H2,1-5H3,(H2,32,34)(H2,33,35)/b19-13+,25-15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured for the inhibition of human platelet PLA2 (HP-PLA2)				Bioorg Med Chem Lett 7: 793-798 (1997) Article DOI: 10.1016/S0960-894X(97)00110-8 BindingDB Entry DOI: 10.7270/Q26D5T0F
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061129 ((2S,3R,4E)-2-(hexadecanoylamino)-3-(benzoyloxy)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COCc2ccccc2)C(OC(C)=O)C(OS([O-])(=O)=O)C1OCc1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C63H97NO12S/c1-4-6-8-10-12-14-16-18-20-22-24-26-37-45-57(71-48-54-41-33-29-34-42-54)56(64-59(66)46-38-27-25-23-21-19-17-15-13-11-9-7-5-2)50-73-63-62(72-49-55-43-35-30-36-44-55)61(76-77(67,68)69)60(74-52(3)65)58(75-63)51-70-47-53-39-31-28-32-40-53/h28-37,39-45,56-58,60-63H,4-27,38,46-51H2,1-3H3,(H,64,66)(H,67,68,69)/p-1/b45-37+/t56-,57+,58?,60?,61?,62?,63?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50291390 (3-{(E)-3-Carboxy-1-[1-(4-decyloxy-phenyl)-meth-(E)...) Show SMILES CCCCCCCCCCOc1ccc(\C=C(\C(\C)=C\C(O)=O)/c2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C29H36O5/c1-3-4-5-6-7-8-9-10-18-34-26-16-14-23(15-17-26)20-27(22(2)19-28(30)31)24-12-11-13-25(21-24)29(32)33/h11-17,19-21H,3-10,18H2,1-2H3,(H,30,31)(H,32,33)/b22-19+,27-20-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured for the inhibition of human platelet PLA2 (HP-PLA2)				Bioorg Med Chem Lett 7: 793-798 (1997) Article DOI: 10.1016/S0960-894X(97)00110-8 BindingDB Entry DOI: 10.7270/Q26D5T0F
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50291388 (3-[(E)-4-(4-Adamantan-1-yl-3-hydroxy-phenyl)-1-((E...) Show SMILES C\C(=C/C(O)=O)\C(=C\CCc1ccc(c(O)c1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2)\c1cccc(c1)C(O)=O |TLB:24:23:26:18.19.20,24:19:26:25.23.22| Show InChI InChI=1S/C31H34O5/c1-19(10-29(33)34)26(24-5-3-6-25(15-24)30(35)36)7-2-4-20-8-9-27(28(32)14-20)31-16-21-11-22(17-31)13-23(12-21)18-31/h3,5-10,14-15,21-23,32H,2,4,11-13,16-18H2,1H3,(H,33,34)(H,35,36)/b19-10+,26-7-/t21-,22+,23-,31?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured for the inhibition of human platelet PLA2 (HP-PLA2)				Bioorg Med Chem Lett 7: 793-798 (1997) Article DOI: 10.1016/S0960-894X(97)00110-8 BindingDB Entry DOI: 10.7270/Q26D5T0F
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061121 ((2S,3R,4E)-2-(Hexadecanoylamino)-1-[[6-O-(sodium o...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)33(31-50-40-39(46)38(45)37(44)35(52-40)32-51-53(47,48)49)41-36(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42,44-46H,3-26,28,30-32H2,1-2H3,(H,41,43)(H,47,48,49)/p-1/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061134 ((2S,3R,4E)-2-(Hexadecanoylamino)-3-hydroxy-1-[[4-O...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(OS([O-])(=O)=O)C(O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-38(46)37(45)39(35(31-42)51-40)52-53(47,48)49)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/p-1/b29-27+/t33-,34+,35?,37?,38?,39?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50291387 (3-{(E)-3-Carboxy-1-[1-(6-decyloxy-naphthalen-2-yl)...) Show SMILES CCCCCCCCCCOc1ccc2cc(\C=C(\C(\C)=C\C(O)=O)/c3cccc(c3)C(O)=O)ccc2c1 Show InChI InChI=1S/C33H38O5/c1-3-4-5-6-7-8-9-10-18-38-30-17-16-26-20-25(14-15-27(26)23-30)21-31(24(2)19-32(34)35)28-12-11-13-29(22-28)33(36)37/h11-17,19-23H,3-10,18H2,1-2H3,(H,34,35)(H,36,37)/b24-19+,31-21-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured for the inhibition of human platelet PLA2 (HP-PLA2)				Bioorg Med Chem Lett 7: 793-798 (1997) Article DOI: 10.1016/S0960-894X(97)00110-8 BindingDB Entry DOI: 10.7270/Q26D5T0F
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50291392 (3-{(E)-3-Carboxy-2-methyl-1-[1-(5,5,8,8-tetramethy...) Show SMILES C\C(=C/C(O)=O)\C(=C\c1ccc2cc3c(cc2c1)C(C)(C)CCC3(C)C)\c1cccc(c1)C(O)=O Show InChI InChI=1S/C31H32O4/c1-19(13-28(32)33)25(22-7-6-8-23(16-22)29(34)35)15-20-9-10-21-17-26-27(18-24(21)14-20)31(4,5)12-11-30(26,2)3/h6-10,13-18H,11-12H2,1-5H3,(H,32,33)(H,34,35)/b19-13+,25-15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured for the inhibition of human platelet PLA2 (HP-PLA2)				Bioorg Med Chem Lett 7: 793-798 (1997) Article DOI: 10.1016/S0960-894X(97)00110-8 BindingDB Entry DOI: 10.7270/Q26D5T0F
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50291386 (3-{(E)-3-Carboxy-2-methyl-1-[1-[6-(3-phenyl-propox...) Show SMILES C\C(=C/C(O)=O)\C(=C\c1ccc2cc(OCCCc3ccccc3)ccc2c1)\c1cccc(c1)C(O)=O Show InChI InChI=1S/C32H28O5/c1-22(17-31(33)34)30(27-10-5-11-28(20-27)32(35)36)19-24-12-13-26-21-29(15-14-25(26)18-24)37-16-6-9-23-7-3-2-4-8-23/h2-5,7-8,10-15,17-21H,6,9,16H2,1H3,(H,33,34)(H,35,36)/b22-17+,30-19-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured for the inhibition of human platelet PLA2 (HP-PLA2)				Bioorg Med Chem Lett 7: 793-798 (1997) Article DOI: 10.1016/S0960-894X(97)00110-8 BindingDB Entry DOI: 10.7270/Q26D5T0F
					More data for this Ligand-Target Pair
Phospholipase A2, membrane associated (Homo sapiens (Human))	BDBM50288286 (3-[(1E,3E,5E)-1-((E)-2-Carboxy-1-methyl-vinyl)-4-m...) Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C(/C(/C)=C/C(O)=O)\c1cccc(c1)C(O)=O |c:4| Show InChI InChI=1S/C27H32O4/c1-18(12-14-24-19(2)8-7-15-27(24,4)5)11-13-23(20(3)16-25(28)29)21-9-6-10-22(17-21)26(30)31/h6,9-14,16-17H,7-8,15H2,1-5H3,(H,28,29)(H,30,31)/b14-12+,18-11+,20-16+,23-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of human platelet phospholipase A2 (HP-PLA2).				Bioorg Med Chem Lett 6: 2669-2672 (1996) Article DOI: 10.1016/S0960-894X(96)00499-4 BindingDB Entry DOI: 10.7270/Q2W37W95
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50288286 (3-[(1E,3E,5E)-1-((E)-2-Carboxy-1-methyl-vinyl)-4-m...) Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C(/C(/C)=C/C(O)=O)\c1cccc(c1)C(O)=O |c:4| Show InChI InChI=1S/C27H32O4/c1-18(12-14-24-19(2)8-7-15-27(24,4)5)11-13-23(20(3)16-25(28)29)21-9-6-10-22(17-21)26(30)31/h6,9-14,16-17H,7-8,15H2,1-5H3,(H,28,29)(H,30,31)/b14-12+,18-11+,20-16+,23-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured for the inhibition of human platelet PLA2 (HP-PLA2)				Bioorg Med Chem Lett 7: 793-798 (1997) Article DOI: 10.1016/S0960-894X(97)00110-8 BindingDB Entry DOI: 10.7270/Q26D5T0F
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50061123 (((Z)-2-Hydroxy-1-hydroxymethyl-heptadec-3-enyl)-ca...) Show SMILES CCCCCCCCCCCCC\C=C/C(O)C(CO)NC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O Show InChI InChI=1S/C25H47NO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(29)18(16-27)26-25(33)35-24-23(32)22(31)21(30)20(17-28)34-24/h14-15,18-24,27-32H,2-13,16-17H2,1H3,(H,26,33)/b15-14-/t18?,19?,20-,21+,22+,23-,24+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay				J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z
					More data for this Ligand-Target Pair