Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'harte' and Initial = 'we'   

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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014354 (6-[4,4-Bis-(4-fluoro-phenyl)-3-(1-methyl-1H-tetraz...) Show SMILES [#6]-n1nnnc1\[#6](\[#6]=[#6]\[#6@@H]-1-[#6]-[#6@@H](-[#8])-[#6]-[#6](=O)-[#8]1)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H20F2N4O3/c1-29-23(26-27-28-29)20(11-10-19-12-18(30)13-21(31)32-19)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15/h2-11,18-19,30H,12-13H2,1H3/b11-10+/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase using [2-14C]-acetate incorporation				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM34168 (LOVASTATIN | MLS000069585 | SMR000058779 | US91151...) Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11| Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014356 (CHEMBL320666 | Sodium; 9,9-bis-(4-fluoro-2-methyl-...) Show SMILES [#6]-c1cc(F)ccc1\[#6](=[#6](/[#6]=[#6]/[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)\c1nnnn1-[#6])-c1ccc(F)cc1-[#6] Show InChI InChI=1S/C25H26F2N4O4/c1-14-10-16(26)4-7-20(14)24(21-8-5-17(27)11-15(21)2)22(25-28-29-30-31(25)3)9-6-18(32)12-19(33)13-23(34)35/h4-11,18-19,32-33H,12-13H2,1-3H3,(H,34,35)/p-1/b9-6+/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM34168 (LOVASTATIN | MLS000069585 | SMR000058779 | US91151...) Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11| Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase using [2-14C]-acetate incorporation				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014345 (CHEMBL11804 | Sodium; (E)-(3R,5S)-9,9-bis-(4-fluor...) Show SMILES [#6]-n1nnnc1\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H22F2N4O4/c1-29-23(26-27-28-29)20(11-10-18(30)12-19(31)13-21(32)33)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15/h2-11,18-19,30-31H,12-13H2,1H3,(H,32,33)/p-1/b11-10+/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014358 (CHEMBL103192 | Sodium; 9-(4-fluoro-phenyl)-3,5-dih...) Show SMILES Cn1nnnc1\C(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)=C(/c1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C23H23FN4O4/c1-28-23(25-26-27-28)20(12-11-18(29)13-19(30)14-21(31)32)22(15-5-3-2-4-6-15)16-7-9-17(24)10-8-16/h2-12,18-19,29-30H,13-14H2,1H3,(H,31,32)/p-1/b12-11+,22-20+/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014355 (CHEMBL103585 | Sodium; 7-(4'-fluoro-3,5,3'-trimeth...) Show SMILES Cc1cc(C)c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1)-c1ccc(F)c(C)c1 Show InChI InChI=1S/C22H25FO4/c1-13-8-14(2)19(6-5-17(24)11-18(25)12-22(26)27)20(9-13)16-4-7-21(23)15(3)10-16/h4-10,17-18,24-25H,11-12H2,1-3H3,(H,26,27)/p-1/b6-5+/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase using [2-14C]-acetate incorporation				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					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))	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))	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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014365 (CHEMBL103547 | Sodium; 9,9-bis-(4-fluoro-3-methyl-...) Show SMILES [#6]-c1cc(ccc1F)-[#6](=[#6](/[#6]=[#6]/[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)\c1nnnn1-[#6])\c1ccc(F)c(-[#6])c1 Show InChI InChI=1S/C25H26F2N4O4/c1-14-10-16(4-8-21(14)26)24(17-5-9-22(27)15(2)11-17)20(25-28-29-30-31(25)3)7-6-18(32)12-19(33)13-23(34)35/h4-11,18-19,32-33H,12-13H2,1-3H3,(H,34,35)/p-1/b7-6+/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014361 (CHEMBL318754 | Sodium; 3,5-dihydroxy-8-(1-methyl-1...) Show SMILES [#6]-n1nnnc1\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H24N4O4/c1-27-23(24-25-26-27)20(13-12-18(28)14-19(29)15-21(30)31)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,18-19,28-29H,14-15H2,1H3,(H,30,31)/p-1/b13-12+/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014364 (CHEMBL318102 | Sodium; 8-[bis-(4-fluoro-phenyl)-me...) Show SMILES [#6]-[#6](-[#6])\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H26F2O4/c1-15(2)22(12-11-20(27)13-21(28)14-23(29)30)24(16-3-7-18(25)8-4-16)17-5-9-19(26)10-6-17/h3-12,15,20-21,27-28H,13-14H2,1-2H3,(H,29,30)/p-1/b12-11+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014363 (CHEMBL419542 | Sodium; 9,9-bis-(4-fluoro-phenyl)-3...) Show SMILES O[C@H](C[C@H](O)C=CC(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1nnn[nH]1)CC([O-])=O |w:6.6,wU:1.0,3.3,(13.49,-1.84,;13.5,-3.38,;12.16,-4.16,;10.83,-3.4,;10.83,-1.85,;9.5,-4.16,;8.16,-3.4,;6.83,-4.16,;5.49,-3.41,;5.49,-1.87,;6.82,-1.1,;6.82,.44,;5.48,1.21,;5.47,2.75,;4.14,.43,;4.15,-1.11,;4.15,-4.18,;2.83,-3.42,;1.5,-4.19,;1.5,-5.73,;.16,-6.49,;2.83,-6.5,;4.15,-5.73,;6.84,-5.71,;8.09,-6.63,;7.61,-8.09,;6.08,-8.09,;5.6,-6.63,;14.83,-4.15,;16.17,-3.38,;16.16,-1.83,;17.5,-4.14,)| Show InChI InChI=1S/C22H20F2N4O4/c23-15-5-1-13(2-6-15)21(14-3-7-16(24)8-4-14)19(22-25-27-28-26-22)10-9-17(29)11-18(30)12-20(31)32/h1-10,17-18,29-30H,11-12H2,(H,31,32)(H,25,26,27,28)/p-1/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014349 (CHEMBL328846 | Sodium; 9,9-bis-(2-fluoro-4-methyl-...) Show SMILES [#6]-c1ccc(\[#6](=[#6](/[#6]=[#6]/[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)\c2nnnn2-[#6])-c2ccc(-[#6])cc2F)c(F)c1 Show InChI InChI=1S/C25H26F2N4O4/c1-14-4-7-18(21(26)10-14)24(19-8-5-15(2)11-22(19)27)20(25-28-29-30-31(25)3)9-6-16(32)12-17(33)13-23(34)35/h4-11,16-17,32-33H,12-13H2,1-3H3,(H,34,35)/p-1/b9-6+/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014362 (CHEMBL103661 | Sodium; 8-(1-ethyl-1H-tetrazol-5-yl...) Show SMILES [#6]-[#6]-n1nnnc1\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H24F2N4O4/c1-2-30-24(27-28-29-30)21(12-11-19(31)13-20(32)14-22(33)34)23(15-3-7-17(25)8-4-15)16-5-9-18(26)10-6-16/h3-12,19-20,31-32H,2,13-14H2,1H3,(H,33,34)/p-1/b12-11+/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014346 (CHEMBL441642 | Sodium; 3,5-dihydroxy-8-(1-methyl-1...) Show SMILES [#6]-c1ccc(cc1)-[#6](=[#6](/[#6]=[#6]/[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)\c1nnnn1-[#6])\c1ccc(-[#6])cc1 Show InChI InChI=1S/C25H28N4O4/c1-16-4-8-18(9-5-16)24(19-10-6-17(2)7-11-19)22(25-26-27-28-29(25)3)13-12-20(30)14-21(31)15-23(32)33/h4-13,20-21,30-31H,14-15H2,1-3H3,(H,32,33)/p-1/b13-12+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014350 (CHEMBL323075 | Sodium; 3,5-dihydroxy-9,9-bis-(4-me...) Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=[#6](/[#6]=[#6]/[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)\c1nnnn1-[#6])\c1ccc(-[#8]-[#6])cc1 Show InChI InChI=1S/C25H28N4O6/c1-29-25(26-27-28-29)22(13-8-18(30)14-19(31)15-23(32)33)24(16-4-9-20(34-2)10-5-16)17-6-11-21(35-3)12-7-17/h4-13,18-19,30-31H,14-15H2,1-3H3,(H,32,33)/p-1/b13-8+/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014348 (CHEMBL100188 | Sodium; 9,9-bis-(2,4-dimethyl-pheny...) Show SMILES [#6]-c1ccc(\[#6](=[#6](/[#6]=[#6]/[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)\c2nnnn2-[#6])-c2ccc(-[#6])cc2-[#6])c(-[#6])c1 Show InChI InChI=1S/C27H32N4O4/c1-16-6-9-22(18(3)12-16)26(23-10-7-17(2)13-19(23)4)24(27-28-29-30-31(27)5)11-8-20(32)14-21(33)15-25(34)35/h6-13,20-21,32-33H,14-15H2,1-5H3,(H,34,35)/p-1/b11-8+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					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
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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014351 (CHEMBL323373 | Sodium; 8-(2-tert-butyl-2H-tetrazol...) Show SMILES [#6]C([#6])([#6])n1nnc(n1)\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H28F2N4O4/c1-26(2,3)32-30-25(29-31-32)22(13-12-20(33)14-21(34)15-23(35)36)24(16-4-8-18(27)9-5-16)17-6-10-19(28)11-7-17/h4-13,20-21,33-34H,14-15H2,1-3H3,(H,35,36)/p-1/b13-12+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase using [2-14C]-acetate incorporation				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014351 (CHEMBL323373 | Sodium; 8-(2-tert-butyl-2H-tetrazol...) Show SMILES [#6]C([#6])([#6])n1nnc(n1)\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H28F2N4O4/c1-26(2,3)32-30-25(29-31-32)22(13-12-20(33)14-21(34)15-23(35)36)24(16-4-8-18(27)9-5-16)17-6-10-19(28)11-7-17/h4-13,20-21,33-34H,14-15H2,1-3H3,(H,35,36)/p-1/b13-12+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50421879 (CHEMBL2304072) Show SMILES Cn1nnnc1C(C=C=C[C@@H](O)C[C@@H](O)CC([O-])=O)=C(c1ccc(F)cc1)c1ccc(F)cc1 |wU:10.11,13.14,(11.55,-2.67,;10.1,-3.15,;9.62,-4.6,;8.1,-4.62,;7.62,-3.15,;8.86,-2.23,;8.83,-.71,;10.16,.07,;11.51,-.69,;12.83,.07,;14.16,-.69,;15.49,.08,;14.17,-2.23,;15.5,-3,;16.83,-2.22,;15.51,-4.54,;16.84,-5.3,;18.17,-4.53,;16.84,-6.84,;7.51,.05,;7.51,1.59,;6.16,2.35,;6.16,3.88,;7.49,4.66,;7.49,6.2,;8.83,3.9,;8.83,2.35,;6.18,-.71,;6.18,-2.26,;4.86,-3.04,;3.53,-2.26,;2.18,-3.02,;3.53,-.73,;4.86,.05,)| Show InChI InChI=1S/C24H22F2N4O4/c1-30-24(27-28-29-30)21(4-2-3-19(31)13-20(32)14-22(33)34)23(15-5-9-17(25)10-6-15)16-7-11-18(26)12-8-16/h3-12,19-20,31-32H,13-14H2,1H3,(H,33,34)/p-1/t2?,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014357 (CHEMBL318256 | Sodium; 9,9-bis-(4-fluoro-phenyl)-3...) Show SMILES [#6]\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22F2O4/c1-14(2-11-19(25)12-20(26)13-21(27)28)22(15-3-7-17(23)8-4-15)16-5-9-18(24)10-6-16/h2-11,19-20,25-26H,12-13H2,1H3,(H,27,28)/p-1/b11-2+/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014360 (CHEMBL322399 | Sodium; 8-cyano-9,9-bis-(4-fluoro-p...) Show SMILES [#8]-[#6@H](-[#6]-[#6@H](-[#8])\[#6]=[#6]\[#6](\C#N)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1)-[#6]-[#6](-[#8-])=O Show InChI InChI=1S/C22H19F2NO4/c23-17-6-1-14(2-7-17)22(15-3-8-18(24)9-4-15)16(13-25)5-10-19(26)11-20(27)12-21(28)29/h1-10,19-20,26-27H,11-12H2,(H,28,29)/p-1/b10-5+/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014353 (CHEMBL319739 | Sodium; 9,9-bis-(4-fluoro-phenyl)-3...) Show SMILES [#6]-[#6](-[#6])-n1nnnc1\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H26F2N4O4/c1-15(2)31-25(28-29-30-31)22(12-11-20(32)13-21(33)14-23(34)35)24(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-12,15,20-21,32-33H,13-14H2,1-2H3,(H,34,35)/p-1/b12-11+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014352 (CHEMBL102468 | Sodium; 9,9-bis-(4-fluoro-phenyl)-3...) Show SMILES [#6]-n1nnc(n1)\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H22F2N4O4/c1-29-27-23(26-28-29)20(11-10-18(30)12-19(31)13-21(32)33)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15/h2-11,18-19,30-31H,12-13H2,1H3,(H,32,33)/p-1/b11-10+/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014367 (CHEMBL103792 | Sodium; 10,10-bis-(4-fluoro-phenyl)...) Show SMILES CC(C)n1nnnc1C(C=C=C[C@@H](O)C[C@@H](O)CC([O-])=O)=C(c1ccc(F)cc1)c1ccc(F)cc1 |wU:15.16,12.13,(5.73,-1.64,;5.41,-3.15,;6.57,-4.17,;3.95,-3.63,;3.47,-5.09,;1.94,-5.1,;1.46,-3.63,;2.7,-2.71,;2.69,-1.18,;4.02,-.4,;5.36,-1.16,;6.69,-.4,;8.03,-1.16,;8.03,.38,;9.36,-1.93,;10.69,-1.16,;10.69,.38,;12.03,-1.92,;13.37,-1.14,;13.36,.41,;14.7,-1.9,;1.36,-.41,;1.35,1.13,;.01,1.89,;.01,3.42,;1.34,4.21,;1.34,5.75,;2.68,3.44,;2.68,1.9,;.03,-1.18,;.03,-2.73,;-1.31,-3.51,;-2.64,-2.73,;-3.98,-3.49,;-2.64,-1.2,;-1.31,-.42,)| Show InChI InChI=1S/C26H26F2N4O4/c1-16(2)32-26(29-30-31-32)23(5-3-4-21(33)14-22(34)15-24(35)36)25(17-6-10-19(27)11-7-17)18-8-12-20(28)13-9-18/h4-13,16,21-22,33-34H,14-15H2,1-2H3,(H,35,36)/p-1/t3?,21?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014366 (CHEMBL102484 | Sodium; 8-(2-ethyl-2H-tetrazol-5-yl...) Show SMILES [#6]-[#6]-n1nnc(n1)\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H24F2N4O4/c1-2-30-28-24(27-29-30)21(12-11-19(31)13-20(32)14-22(33)34)23(15-3-7-17(25)8-4-15)16-5-9-18(26)10-6-16/h3-12,19-20,31-32H,2,13-14H2,1H3,(H,33,34)/p-1/b12-11+/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014347 (CHEMBL321715 | Sodium; 9,9-bis-(4-fluoro-phenyl)-3...) Show SMILES [#6]-[#6](-[#6])-n1nnc(n1)\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H26F2N4O4/c1-15(2)31-29-25(28-30-31)22(12-11-20(32)13-21(33)14-23(34)35)24(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-12,15,20-21,32-33H,13-14H2,1-2H3,(H,34,35)/p-1/b12-11+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014345 (CHEMBL11804 | Sodium; (E)-(3R,5S)-9,9-bis-(4-fluor...) Show SMILES [#6]-n1nnnc1\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H22F2N4O4/c1-29-23(26-27-28-29)20(11-10-18(30)12-19(31)13-21(32)33)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15/h2-11,18-19,30-31H,12-13H2,1H3,(H,32,33)/p-1/b11-10+/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured against rat liver HMG-CoA reductase				J Med Chem 33: 2982-99 (1990) BindingDB Entry DOI: 10.7270/Q26T0N7R
					More data for this Ligand-Target Pair