Compile Data Set for Download or QSAR

Found 55 hits of ic50 data for polymerid = 10006,50005671   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50351206 (CHEMBL1818383) Show SMILES COc1c2n(cc(C(O)=O)c([O-])c2cc(F)c1=[N+]1C(C)CN(CC1C)C(=O)CC[N+]([O-])=O)C1CC1 |(26.56,-22.89,;25.58,-22.34,;25.59,-20.8,;26.92,-20.05,;28.23,-20.83,;29.58,-20.08,;29.6,-18.54,;30.94,-17.79,;32.26,-18.58,;30.96,-16.25,;28.27,-17.75,;28.29,-16.21,;26.94,-18.51,;25.6,-17.73,;24.27,-18.5,;22.94,-17.72,;24.26,-20.03,;22.93,-20.8,;21.59,-20.01,;21.6,-18.47,;20.24,-20.78,;20.24,-22.32,;21.58,-23.11,;22.91,-22.34,;24.24,-23.12,;18.9,-23.09,;18.9,-24.64,;17.57,-22.32,;16.22,-23.09,;14.88,-22.32,;14.88,-20.78,;13.54,-23.09,;28.22,-22.37,;27.43,-23.69,;28.97,-23.72,)| Show InChI InChI=1S/C23H27FN4O7/c1-12-9-25(18(29)6-7-27(33)34)10-13(2)28(12)20-17(24)8-15-19(22(20)35-3)26(14-4-5-14)11-16(21(15)30)23(31)32/h8,11-14H,4-7,9-10H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Institute of Technology and Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis isocitrate lyase				Bioorg Med Chem Lett 21: 5149-54 (2011) Article DOI: 10.1016/j.bmcl.2011.07.062 BindingDB Entry DOI: 10.7270/Q20002GQ
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50351204 (CHEMBL1818381) Show SMILES OC(=O)c1cn(C2CC2)c2cc(c(F)cc2c1[O-])=[N+]1CCN(CC1)C(=O)CC[N+]([O-])=O |(34.07,-7.8,;32.75,-7.01,;32.77,-5.47,;31.4,-7.76,;31.38,-9.3,;30.04,-10.05,;30.02,-11.59,;29.24,-12.91,;30.78,-12.94,;28.72,-9.27,;27.4,-10.02,;26.06,-9.25,;26.07,-7.72,;24.74,-6.94,;27.4,-6.95,;28.74,-7.73,;30.08,-6.97,;30.09,-5.43,;24.73,-10.02,;24.72,-11.56,;23.38,-12.33,;22.05,-11.54,;22.04,-10,;23.39,-9.23,;20.7,-12.31,;20.7,-13.86,;19.37,-11.54,;18.03,-12.31,;16.69,-11.54,;16.68,-10,;15.34,-12.31,)| Show InChI InChI=1S/C20H21FN4O6/c21-15-9-13-16(24(12-1-2-12)11-14(19(13)27)20(28)29)10-17(15)22-5-7-23(8-6-22)18(26)3-4-25(30)31/h9-12H,1-8H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis isocitrate lyase				Bioorg Med Chem Lett 21: 5149-54 (2011) Article DOI: 10.1016/j.bmcl.2011.07.062 BindingDB Entry DOI: 10.7270/Q20002GQ
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50351203 (CHEMBL1818380) Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C19H21FN4O6/c1-2-21-11-13(19(27)28)18(26)12-9-14(20)16(10-15(12)21)22-5-7-23(8-6-22)17(25)3-4-24(29)30/h9-11H,2-8H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis isocitrate lyase				Bioorg Med Chem Lett 21: 5149-54 (2011) Article DOI: 10.1016/j.bmcl.2011.07.062 BindingDB Entry DOI: 10.7270/Q20002GQ
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50351205 (CHEMBL1818382) Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCN(CC3C)C(=O)CC[N+]([O-])=O)c(F)c12 Show InChI InChI=1S/C20H22F2N4O6/c1-3-23-10-13(20(29)30)19(28)12-8-14(21)18(16(22)17(12)23)25-7-6-24(9-11(25)2)15(27)4-5-26(31)32/h8,10-11H,3-7,9H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis isocitrate lyase				Bioorg Med Chem Lett 21: 5149-54 (2011) Article DOI: 10.1016/j.bmcl.2011.07.062 BindingDB Entry DOI: 10.7270/Q20002GQ
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50351200 (CHEMBL1818376) Show SMILES CCN1CCN(CC1)C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C9H17N3O3/c1-2-10-5-7-11(8-6-10)9(13)3-4-12(14)15/h2-8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis isocitrate lyase				Bioorg Med Chem Lett 21: 5149-54 (2011) Article DOI: 10.1016/j.bmcl.2011.07.062 BindingDB Entry DOI: 10.7270/Q20002GQ
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50206257 (CHEMBL387584 | CHEMBL450482 | halisulfate 1 | sodi...) Show SMILES C[C@H](CCC\C(C)=C\Cc1cc(O)ccc1O)[C@@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)OS([O-])(=O)=O |r,c:22| Show InChI InChI=1S/C31H48O6S/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(37-38(34,35)36)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6/h11-12,14-15,19,23,26,28-29,32-33H,7-10,13,16-18,20H2,1-6H3,(H,34,35,36)/p-1/b21-11+/t23-,26+,28-,29+,31-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Ocean Research and Development Institute Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea Guy 11 isocitrate lyase				Bioorg Med Chem Lett 17: 2483-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.027 BindingDB Entry DOI: 10.7270/Q2N87BKP
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50206259 (CHEMBL230058 | hydrohalisulfate 1) Show SMILES C[C@H](CCC\C(C)=C\Cc1cc(O)ccc1O)[C@H](O)C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C |r,c:23| Show InChI InChI=1S/C31H48O3/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(34)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6/h11-12,14-15,19,23,26,28-29,32-34H,7-10,13,16-18,20H2,1-6H3/b21-11+/t23-,26+,28-,29+,31-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Ocean Research and Development Institute Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea Guy 11 isocitrate lyase				Bioorg Med Chem Lett 17: 2483-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.027 BindingDB Entry DOI: 10.7270/Q2N87BKP
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50351198 (CHEMBL1818286) Show SMILES [O-][N+](=O)CCC(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C9H9ClN2O3/c10-7-1-3-8(4-2-7)11-9(13)5-6-12(14)15/h1-4H,5-6H2,(H,11,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis isocitrate lyase				Bioorg Med Chem Lett 21: 5149-54 (2011) Article DOI: 10.1016/j.bmcl.2011.07.062 BindingDB Entry DOI: 10.7270/Q20002GQ
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50351202 (CHEMBL1818378) Show SMILES [O-][N+](=O)CCC(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C14H16F3N3O3/c15-14(16,17)11-2-1-3-12(10-11)18-6-8-19(9-7-18)13(21)4-5-20(22)23/h1-3,10H,4-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis isocitrate lyase				Bioorg Med Chem Lett 21: 5149-54 (2011) Article DOI: 10.1016/j.bmcl.2011.07.062 BindingDB Entry DOI: 10.7270/Q20002GQ
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50461791 (CHEMBL4226192) Show SMILES COC(=O)\C=C\C(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C12H12O4/c1-15-10-5-3-9(4-6-10)11(13)7-8-12(14)16-2/h3-8H,1-2H3/b8-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis ICL expressed in Escherichia coli BL21 (DE3) cells using DL-isocitric acid trisodium salt hydrat...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111578 BindingDB Entry DOI: 10.7270/Q2CZ3BM1
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50351207 (CHEMBL1818287) Show SMILES [O-][N+](=O)CCC(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C9H9BrN2O3/c10-7-1-3-8(4-2-7)11-9(13)5-6-12(14)15/h1-4H,5-6H2,(H,11,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis isocitrate lyase				Bioorg Med Chem Lett 21: 5149-54 (2011) Article DOI: 10.1016/j.bmcl.2011.07.062 BindingDB Entry DOI: 10.7270/Q20002GQ
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50351199 (CHEMBL1818370) Show SMILES Cc1cc(NC(=O)CC[N+]([O-])=O)ccc1Br Show InChI InChI=1S/C10H11BrN2O3/c1-7-6-8(2-3-9(7)11)12-10(14)4-5-13(15)16/h2-3,6H,4-5H2,1H3,(H,12,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis isocitrate lyase				Bioorg Med Chem Lett 21: 5149-54 (2011) Article DOI: 10.1016/j.bmcl.2011.07.062 BindingDB Entry DOI: 10.7270/Q20002GQ
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50351201 (CHEMBL1818377) Show SMILES [O-][N+](=O)CCC(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C13H17N3O3/c17-13(6-7-16(18)19)15-10-8-14(9-11-15)12-4-2-1-3-5-12/h1-5H,6-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis isocitrate lyase				Bioorg Med Chem Lett 21: 5149-54 (2011) Article DOI: 10.1016/j.bmcl.2011.07.062 BindingDB Entry DOI: 10.7270/Q20002GQ
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50274515 (3-nitropropanoic acid | 3-nitropropionic acid | Bo...) Show SMILES [O-]C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	5.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...				Citation and Details Article DOI: 10.1007/s00044-013-0845-4 BindingDB Entry DOI: 10.7270/Q27H1M17
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50480795 (3-Nitroporpionic Acid | 3-Nitropropionate | 3-Nitr...) Show SMILES OC(=O)CC[N+]([O-])=O Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea isocitrate lyase				J Nat Prod 71: 1866-71 (2008) Article DOI: 10.1021/np8003694 BindingDB Entry DOI: 10.7270/Q20P12VX
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50370994 (CHEMBL230057) Show SMILES C[C@@H]1CC[C@@]2(C)[C@H](CCCC2=C)[C@@]1(C)CCC(CCCc1ccoc1)COS([O-])(=O)=O |w:16.17| Show InChI InChI=1S/C25H40O5S/c1-19-7-5-10-23-24(19,3)14-11-20(2)25(23,4)15-12-21(18-30-31(26,27)28)8-6-9-22-13-16-29-17-22/h13,16-17,20-21,23H,1,5-12,14-15,18H2,2-4H3,(H,26,27,28)/p-1/t20-,21?,23+,24-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Ocean Research and Development Institute Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea Guy 11 isocitrate lyase				Bioorg Med Chem Lett 17: 2483-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.027 BindingDB Entry DOI: 10.7270/Q2N87BKP
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50478639 ((7E,12E,18R,20Z)-Variabilin | CHEMBL467744) Show SMILES C[C@H](CCC\C(C)=C\CC\C(C)=C\CCc1ccoc1)\C=C1/OC(=O)C(C)=C1O |r,c:27| Show InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h8,11,14-17,20,26H,5-7,9-10,12-13H2,1-4H3/b18-8+,19-11+,23-16-/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea isocitrate lyase				J Nat Prod 71: 1866-71 (2008) Article DOI: 10.1021/np8003694 BindingDB Entry DOI: 10.7270/Q20P12VX
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM200235 (Rifampicin | cid_5381226) Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)\C(=C\NN4CCN(C)CC4)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C(O)c2c(O)c3C |wU:45.47,41.43,37.39,43.45,35.37,6.6,wD:2.1,39.41,50.53,c:33,t:3,35,54,(15.1,-5.61,;13.64,-5.11,;13.35,-3.6,;14.73,-2.92,;16.01,-3.78,;17.39,-3.1,;17.5,-1.56,;18.99,-1.94,;18.12,-.17,;16.98,.86,;15.65,.09,;15.97,-1.41,;16.45,-2.87,;14.32,.86,;12.94,.04,;14.28,-.72,;11.54,.83,;10.21,.05,;9.44,1.38,;9.43,2.92,;8.1,3.69,;8.09,5.23,;9.42,6,;9.42,7.54,;10.76,5.24,;10.76,3.7,;11.54,2.43,;10.16,1.76,;9.14,.62,;9.33,-.91,;7.86,1.48,;7.43,2.96,;6.47,.8,;6.37,-.73,;4.99,-1.41,;4.49,-2.87,;3.08,-2.24,;5.5,-4.03,;4.48,-5.18,;7.04,-4.13,;6.8,-5.65,;7.9,-2.85,;7.67,-1.33,;9.41,-2.56,;10.9,-2.2,;10.69,-3.42,;10.98,-4.93,;10.48,-6.38,;11.5,-7.54,;8.97,-6.68,;12.07,-2.74,;13.58,-2.44,;12.94,3.22,;12.96,4.76,;14.32,2.4,;15.65,3.17,;15.65,4.71,;16.98,2.4,;18.32,3.17,)| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,28-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>7.59E+4	n/a	n/a	n/a	n/a	n/a	37
Birla Institute of Technology & Science-Pilani, Hyderabad Campus					Assay Description Isocitrate lyase activity was determined at 37°C by measuringthe formation of glyoxylate phenylhydrazone at 324 nm [Bai et al., Drug Dev. Res., 6...				J Enzyme Inhib Med Chem 25: 765-72 (2010) Article DOI: 10.3109/14756360903425221 BindingDB Entry DOI: 10.7270/Q28914R3
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50480796 (CHEMBL574762) Show SMILES C[C@H](CC\C=C(\C)CCC\C=C(\C)CCc1ccoc1)\C=C1/OC(=O)C(C)=C1O |r,c:27| Show InChI InChI=1S/C25H34O4/c1-18(8-5-6-9-19(2)12-13-22-14-15-28-17-22)10-7-11-20(3)16-23-24(26)21(4)25(27)29-23/h9-10,14-17,20,26H,5-8,11-13H2,1-4H3/b18-10-,19-9-,23-16-/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea isocitrate lyase				J Nat Prod 71: 1866-71 (2008) Article DOI: 10.1021/np8003694 BindingDB Entry DOI: 10.7270/Q20P12VX
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50274515 (3-nitropropanoic acid | 3-nitropropionic acid | Bo...) Show SMILES [O-]C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Ocean Research and Development Institute Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea Guy 11 isocitrate lyase				Bioorg Med Chem Lett 17: 2483-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.027 BindingDB Entry DOI: 10.7270/Q2N87BKP
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50480805 (CHEMBL573401) Show SMILES [H][C@]12[C@H](OC)OCC1=CC[C@]1([H])[C@]2(C)CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21CO |r,c:8| Show InChI InChI=1S/C26H42O3/c1-23(2)11-6-12-26(16-27)18(23)9-13-24(3)19-8-7-17-15-29-22(28-5)21(17)25(19,4)14-10-20(24)26/h7,18-22,27H,6,8-16H2,1-5H3/t18-,19-,20-,21+,22+,24-,25-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea isocitrate lyase				J Nat Prod 71: 1866-71 (2008) Article DOI: 10.1021/np8003694 BindingDB Entry DOI: 10.7270/Q20P12VX
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM233192 (1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl)-4-[(...) Show SMILES COc1c(N2CCN(C(C)C2)C(=O)C2NC(=O)NC(=O)C2[N+]([O-])=O)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 Show InChI InChI=1S/C24H25FN6O9/c1-10-8-28(5-6-29(10)22(34)15-18(31(38)39)21(33)27-24(37)26-15)17-14(25)7-12-16(20(17)40-2)30(11-3-4-11)9-13(19(12)32)23(35)36/h7,9-11,15,18H,3-6,8H2,1-2H3,(H,35,36)(H2,26,27,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.12E+5	n/a	n/a	n/a	n/a	n/a	37
Birla Institute of Technology & Science-Pilani, Hyderabad Campus					Assay Description Isocitrate lyase activity was determined at 37°C by measuringthe formation of glyoxylate phenylhydrazone at 324 nm [Bai et al., Drug Dev. Res., 6...				J Enzyme Inhib Med Chem 25: 765-72 (2010) Article DOI: 10.3109/14756360903425221 BindingDB Entry DOI: 10.7270/Q28914R3
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50274515 (3-nitropropanoic acid | 3-nitropropionic acid | Bo...) Show SMILES [O-]C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis isocitrate lyase				Bioorg Med Chem Lett 21: 5149-54 (2011) Article DOI: 10.1016/j.bmcl.2011.07.062 BindingDB Entry DOI: 10.7270/Q20002GQ
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM233191 (7-(3,5-Dimethyl)-4-[(5-nitro-2,6-dioxohexahydro-4-...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CC(C)N(C(C)C3)C(=O)C3NC(=O)NC(=O)C3[N+]([O-])=O)c(F)c12 Show InChI InChI=1S/C23H24F2N6O8/c1-4-28-8-12(22(35)36)19(32)11-5-13(24)17(14(25)16(11)28)29-6-9(2)30(10(3)7-29)21(34)15-18(31(38)39)20(33)27-23(37)26-15/h5,8-10,15,18H,4,6-7H2,1-3H3,(H,35,36)(H2,26,27,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.17E+5	n/a	n/a	n/a	n/a	n/a	37
Birla Institute of Technology & Science-Pilani, Hyderabad Campus					Assay Description Isocitrate lyase activity was determined at 37°C by measuringthe formation of glyoxylate phenylhydrazone at 324 nm [Bai et al., Drug Dev. Res., 6...				J Enzyme Inhib Med Chem 25: 765-72 (2010) Article DOI: 10.3109/14756360903425221 BindingDB Entry DOI: 10.7270/Q28914R3
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50480797 (CHEMBL573138) Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4(C)[C@@H](C=O)C(=CC[C@@]34[H])C(=O)OC)[C@@]1(COC(C)=O)CCCC2(C)C |r,c:15| Show InChI InChI=1S/C28H42O5/c1-18(30)33-17-28-13-7-12-25(2,3)21(28)10-15-27(5)22-9-8-19(24(31)32-6)20(16-29)26(22,4)14-11-23(27)28/h8,16,20-23H,7,9-15,17H2,1-6H3/t20-,21-,22+,23-,26+,27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea isocitrate lyase				J Nat Prod 71: 1866-71 (2008) Article DOI: 10.1021/np8003694 BindingDB Entry DOI: 10.7270/Q20P12VX
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM233190 (1-Cyclopropyl-6-fluoro-7-4-[(5-nitro-2,6-dioxohexa...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCN(CC3)C(=O)C3NC(=O)NC(=O)C3[N+]([O-])=O)c(F)cc2c1=O Show InChI InChI=1S/C22H21FN6O8/c23-13-7-11-14(28(10-1-2-10)9-12(18(11)30)21(33)34)8-15(13)26-3-5-27(6-4-26)20(32)16-17(29(36)37)19(31)25-22(35)24-16/h7-10,16-17H,1-6H2,(H,33,34)(H2,24,25,31,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.21E+5	n/a	n/a	n/a	n/a	n/a	37
Birla Institute of Technology & Science-Pilani, Hyderabad Campus					Assay Description Isocitrate lyase activity was determined at 37°C by measuringthe formation of glyoxylate phenylhydrazone at 324 nm [Bai et al., Drug Dev. Res., 6...				J Enzyme Inhib Med Chem 25: 765-72 (2010) Article DOI: 10.3109/14756360903425221 BindingDB Entry DOI: 10.7270/Q28914R3
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM233189 (1-Ethyl-6-fluoro-7-4-[(5-nitro-2,6-dioxohexahydro-...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)C1NC(=O)NC(=O)C1[N+]([O-])=O Show InChI InChI=1S/C21H21FN6O8/c1-2-25-9-11(20(32)33)17(29)10-7-12(22)14(8-13(10)25)26-3-5-27(6-4-26)19(31)15-16(28(35)36)18(30)24-21(34)23-15/h7-9,15-16H,2-6H2,1H3,(H,32,33)(H2,23,24,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.24E+5	n/a	n/a	n/a	n/a	n/a	37
Birla Institute of Technology & Science-Pilani, Hyderabad Campus					Assay Description Isocitrate lyase activity was determined at 37°C by measuringthe formation of glyoxylate phenylhydrazone at 324 nm [Bai et al., Drug Dev. Res., 6...				J Enzyme Inhib Med Chem 25: 765-72 (2010) Article DOI: 10.3109/14756360903425221 BindingDB Entry DOI: 10.7270/Q28914R3
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50480803 (CHEMBL575637) Show SMILES [H][C@@]12CC[C@@]3(C)[C@]4([H])CCc5cocc5[C@@]4(C)CC[C@]3([H])[C@@]1(CO)CCCC2(C)C |r| Show InChI InChI=1S/C25H38O2/c1-22(2)10-5-11-25(16-26)19(22)8-13-24(4)20-7-6-17-14-27-15-18(17)23(20,3)12-9-21(24)25/h14-15,19-21,26H,5-13,16H2,1-4H3/t19-,20+,21-,23+,24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.24E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea isocitrate lyase				J Nat Prod 71: 1866-71 (2008) Article DOI: 10.1021/np8003694 BindingDB Entry DOI: 10.7270/Q20P12VX
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50440014 (CHEMBL2425396) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:42.44,24.27,8.15,53.55,wD:30.40,18.21,4.4,(44.48,-37.46,;43.15,-36.69,;43.15,-35.15,;41.82,-34.38,;41.82,-32.84,;40.49,-32.07,;39.15,-32.84,;39.15,-34.38,;37.81,-32.07,;37.81,-30.53,;39.15,-29.76,;40.56,-30.4,;41.6,-29.25,;40.83,-27.91,;39.31,-28.23,;36.48,-32.84,;35.15,-32.07,;35.15,-30.53,;33.82,-32.84,;33.82,-34.38,;35.15,-35.15,;32.48,-32.07,;31.14,-32.84,;31.14,-34.38,;29.82,-32.07,;29.82,-30.53,;31.14,-29.76,;28.48,-32.84,;27.15,-32.07,;27.15,-30.53,;25.81,-32.84,;25.81,-34.38,;27.15,-35.15,;28.48,-34.38,;29.82,-35.15,;29.82,-36.7,;31.15,-37.47,;28.48,-37.47,;27.15,-36.7,;24.48,-32.07,;23.15,-32.84,;23.15,-34.38,;21.81,-32.07,;20.48,-32.84,;21.81,-30.53,;23.15,-29.76,;24.55,-30.4,;25.59,-29.25,;24.81,-27.91,;23.31,-28.23,;43.15,-32.07,;43.15,-30.53,;44.48,-32.84,;45.82,-32.07,;45.82,-30.53,;47.15,-29.76,;47.15,-28.22,;48.49,-27.45,;48.49,-25.91,;47.15,-25.14,;49.82,-25.14,;47.15,-32.84,;48.49,-32.07,;47.15,-34.38,)| Show InChI InChI=1S/C38H56N14O11S/c1-64-10-8-25(32(57)48-26(37(62)63)3-2-9-44-38(40)41)47-34(59)28(13-22-15-43-19-46-22)50-35(60)29(16-53)52-36(61)30(17-54)51-33(58)27(11-20-4-6-23(55)7-5-20)49-31(56)24(39)12-21-14-42-18-45-21/h4-7,14-15,18-19,24-30,53-55H,2-3,8-13,16-17,39H2,1H3,(H,42,45)(H,43,46)(H,47,59)(H,48,57)(H,49,56)(H,50,60)(H,51,58)(H,52,61)(H,62,63)(H4,40,41,44)/t24-,25-,26-,27-,28-,29-,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...				Citation and Details Article DOI: 10.1007/s00044-013-0845-4 BindingDB Entry DOI: 10.7270/Q27H1M17
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50440015 (CHEMBL2425395) Show SMILES [#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r| Show InChI InChI=1S/C33H53N11O12/c34-17(15-24(35)46)29(52)43-13-3-7-22(43)31(54)42-12-2-6-21(42)28(51)40-19(9-10-25(47)48)27(50)39-18(5-1-11-38-33(36)37)26(49)41-20(16-45)30(53)44-14-4-8-23(44)32(55)56/h17-23,45H,1-16,34H2,(H2,35,46)(H,39,50)(H,40,51)(H,41,49)(H,47,48)(H,55,56)(H4,36,37,38)/t17-,18-,19-,20-,21-,22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...				Citation and Details Article DOI: 10.1007/s00044-013-0845-4 BindingDB Entry DOI: 10.7270/Q27H1M17
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50480791 (CHEMBL576346) Show SMILES [H][C@]12[C@H](O)OC(=O)C1=CC[C@]1([H])[C@]2(C)CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21COC(C)=O |r,c:8| Show InChI InChI=1S/C27H40O5/c1-16(28)31-15-27-12-6-11-24(2,3)18(27)9-13-25(4)19-8-7-17-21(23(30)32-22(17)29)26(19,5)14-10-20(25)27/h7,18-21,23,30H,6,8-15H2,1-5H3/t18-,19-,20-,21+,23+,25-,26-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea isocitrate lyase				J Nat Prod 71: 1866-71 (2008) Article DOI: 10.1021/np8003694 BindingDB Entry DOI: 10.7270/Q20P12VX
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50440012 (CHEMBL2425398) Show SMILES CSCC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C38H57N9O11S/c1-20(2)14-26(43-34(53)27(16-23-17-40-19-41-23)44-32(51)25(11-13-59-4)42-36(55)31(39)21(3)49)33(52)46-29(18-48)37(56)47-12-5-6-30(47)35(54)45-28(38(57)58)15-22-7-9-24(50)10-8-22/h7-10,17,19-21,25-31,48-50H,5-6,11-16,18,39H2,1-4H3,(H,40,41)(H,42,55)(H,43,53)(H,44,51)(H,45,54)(H,46,52)(H,57,58)/t21-,25+,26+,27+,28+,29+,30+,31+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.56E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...				Citation and Details Article DOI: 10.1007/s00044-013-0845-4 BindingDB Entry DOI: 10.7270/Q27H1M17
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50440013 (CHEMBL2425397) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C30H57N13O11/c1-13(2)20(42-24(49)17(7-5-9-36-29(32)33)39-22(47)14(3)38-23(48)16(31)11-44)26(51)43-21(15(4)46)27(52)41-19(12-45)25(50)40-18(28(53)54)8-6-10-37-30(34)35/h13-21,44-46H,5-12,31H2,1-4H3,(H,38,48)(H,39,47)(H,40,50)(H,41,52)(H,42,49)(H,43,51)(H,53,54)(H4,32,33,36)(H4,34,35,37)/t14-,15+,16-,17-,18-,19-,20-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...				Citation and Details Article DOI: 10.1007/s00044-013-0845-4 BindingDB Entry DOI: 10.7270/Q27H1M17
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50440016 (CHEMBL2425394) Show SMILES C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C27H47N9O10/c1-14(33-24(42)17(6-3-4-10-28)34-23(41)16(29)8-9-20(30)38)22(40)35-18(13-37)26(44)36-11-5-7-19(36)25(43)31-12-21(39)32-15(2)27(45)46/h14-19,37H,3-13,28-29H2,1-2H3,(H2,30,38)(H,31,43)(H,32,39)(H,33,42)(H,34,41)(H,35,40)(H,45,46)/t14-,15-,16-,17-,18-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.72E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...				Citation and Details Article DOI: 10.1007/s00044-013-0845-4 BindingDB Entry DOI: 10.7270/Q27H1M17
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM233188 (N-(5-Bromo-2-pyridinyl)-5-nitro-2,6-dioxohexahydro...) Show SMILES [O-][N+](=O)C1C(NC(=O)NC1=O)C(=O)Nc1ccc(Br)cn1 Show InChI InChI=1S/C10H8BrN5O5/c11-4-1-2-5(12-3-4)13-8(17)6-7(16(20)21)9(18)15-10(19)14-6/h1-3,6-7H,(H,12,13,17)(H2,14,15,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.75E+5	n/a	n/a	n/a	n/a	n/a	37
Birla Institute of Technology & Science-Pilani, Hyderabad Campus					Assay Description Isocitrate lyase activity was determined at 37°C by measuringthe formation of glyoxylate phenylhydrazone at 324 nm [Bai et al., Drug Dev. Res., 6...				J Enzyme Inhib Med Chem 25: 765-72 (2010) Article DOI: 10.3109/14756360903425221 BindingDB Entry DOI: 10.7270/Q28914R3
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50440010 (CHEMBL2425400) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C32H55N7O13/c1-15(2)11-19(35-26(45)18(8-9-24(43)44)34-30(49)25(33)17(5)42)27(46)37-21(13-40)28(47)36-20(12-16(3)4)31(50)39-10-6-7-23(39)29(48)38-22(14-41)32(51)52/h15-23,25,40-42H,6-14,33H2,1-5H3,(H,34,49)(H,35,45)(H,36,47)(H,37,46)(H,38,48)(H,43,44)(H,51,52)/t17-,18+,19+,20+,21+,22+,23+,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.82E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...				Citation and Details Article DOI: 10.1007/s00044-013-0845-4 BindingDB Entry DOI: 10.7270/Q27H1M17
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50480798 (12-deacetoxy-23-O-acetoxyheteronemin | CHEMBL57746...) Show SMILES [H][C@]12[C@H](OC(C)=O)OC=C1[C@H](C[C@]1([H])[C@]2(C)CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21COC(C)=O)OC(C)=O |r,c:8| Show InChI InChI=1S/C31H46O7/c1-18(32)36-17-31-12-8-11-28(4,5)23(31)9-13-29(6)24(31)10-14-30(7)25(29)15-22(37-19(2)33)21-16-35-27(26(21)30)38-20(3)34/h16,22-27H,8-15,17H2,1-7H3/t22-,23-,24-,25-,26+,27-,29+,30-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.88E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea isocitrate lyase				J Nat Prod 71: 1866-71 (2008) Article DOI: 10.1021/np8003694 BindingDB Entry DOI: 10.7270/Q20P12VX
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM233149 (Dacarbazine) Show SMILES CN(C)N\N=C1\N=CN=C1C(N)=O |c:6,8| Show InChI InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3,11H,1-2H3,(H2,7,13)/b10-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.89E+5	n/a	n/a	n/a	n/a	n/a	37
Birla Institute of Technology & Science-Pilani, Hyderabad Campus					Assay Description Isocitrate lyase activity was determined at 37°C by measuringthe formation of glyoxylate phenylhydrazone at 324 nm [Bai et al., Drug Dev. Res., 6...				J Enzyme Inhib Med Chem 25: 765-72 (2010) Article DOI: 10.3109/14756360903425221 BindingDB Entry DOI: 10.7270/Q28914R3
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50440011 (CHEMBL2425399) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C27H47N9O13/c1-11(2)6-15(23(44)31-12(3)21(42)32-14(27(48)49)4-5-19(29)40)33-24(45)17(9-38)35-26(47)18(10-39)36-25(46)16(8-37)34-22(43)13(28)7-20(30)41/h11-18,37-39H,4-10,28H2,1-3H3,(H2,29,40)(H2,30,41)(H,31,44)(H,32,42)(H,33,45)(H,34,43)(H,35,47)(H,36,46)(H,48,49)/t12-,13-,14-,15-,16-,17-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...				Citation and Details Article DOI: 10.1007/s00044-013-0845-4 BindingDB Entry DOI: 10.7270/Q27H1M17
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50440005 (CHEMBL2425405) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C38H63N11O9S/c1-8-22(6)31(49-32(51)25(39)13-23-15-40-18-42-23)37(56)48-30(17-50)36(55)46-28(14-24-16-41-19-43-24)35(54)45-27(11-20(2)3)34(53)44-26(9-10-59-7)33(52)47-29(38(57)58)12-21(4)5/h15-16,18-22,25-31,50H,8-14,17,39H2,1-7H3,(H,40,42)(H,41,43)(H,44,53)(H,45,54)(H,46,55)(H,47,52)(H,48,56)(H,49,51)(H,57,58)/t22-,25-,26-,27-,28-,29-,30-,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.92E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...				Citation and Details Article DOI: 10.1007/s00044-013-0845-4 BindingDB Entry DOI: 10.7270/Q27H1M17
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM233187 (N-(4-Chlorophenyl)-5-nitro-2,6-dioxohexahydro-4-py...) Show SMILES [O-][N+](=O)C1C(NC(=O)NC1=O)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C11H9ClN4O5/c12-5-1-3-6(4-2-5)13-9(17)7-8(16(20)21)10(18)15-11(19)14-7/h1-4,7-8H,(H,13,17)(H2,14,15,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<2.00E+5	n/a	n/a	n/a	n/a	n/a	37
Birla Institute of Technology & Science-Pilani, Hyderabad Campus					Assay Description Isocitrate lyase activity was determined at 37°C by measuringthe formation of glyoxylate phenylhydrazone at 324 nm [Bai et al., Drug Dev. Res., 6...				J Enzyme Inhib Med Chem 25: 765-72 (2010) Article DOI: 10.3109/14756360903425221 BindingDB Entry DOI: 10.7270/Q28914R3
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50440007 (CHEMBL2425403) Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C36H59N7O10S/c1-18(2)15-25(37)32(48)42-28(17-23-9-11-24(45)12-10-23)34(50)38-20(5)30(46)41-27(16-19(3)4)33(49)39-21(6)31(47)43-29(22(7)44)35(51)40-26(36(52)53)13-14-54-8/h9-12,18-22,25-29,44-45H,13-17,37H2,1-8H3,(H,38,50)(H,39,49)(H,40,51)(H,41,46)(H,42,48)(H,43,47)(H,52,53)/t20-,21-,22+,25-,26-,27-,28-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...				Citation and Details Article DOI: 10.1007/s00044-013-0845-4 BindingDB Entry DOI: 10.7270/Q27H1M17
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50480802 (CHEMBL574521) Show SMILES [H][C@]12[C@H](OC(C)=O)OC=C1[C@H](C[C@]1([H])[C@]2(C)CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21CO)OC(C)=O |r,c:8| Show InChI InChI=1S/C29H44O6/c1-17(31)34-20-14-23-27(5)12-8-21-26(3,4)10-7-11-29(21,16-30)22(27)9-13-28(23,6)24-19(20)15-33-25(24)35-18(2)32/h15,20-25,30H,7-14,16H2,1-6H3/t20-,21-,22-,23-,24+,25-,27+,28-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea isocitrate lyase				J Nat Prod 71: 1866-71 (2008) Article DOI: 10.1021/np8003694 BindingDB Entry DOI: 10.7270/Q20P12VX
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50480800 (CHEMBL573356) Show SMILES [H][C@]12[C@H](OC(C)=O)OC(=O)C1=CC[C@]1([H])[C@]2(C)CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21COC(C)=O |r,c:11| Show InChI InChI=1S/C29H42O6/c1-17(30)33-16-29-13-7-12-26(3,4)20(29)10-14-27(5)21-9-8-19-23(28(21,6)15-11-22(27)29)25(34-18(2)31)35-24(19)32/h8,20-23,25H,7,9-16H2,1-6H3/t20-,21-,22-,23+,25+,27-,28-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea isocitrate lyase				J Nat Prod 71: 1866-71 (2008) Article DOI: 10.1021/np8003694 BindingDB Entry DOI: 10.7270/Q20P12VX
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50480793 (CHEMBL572703) Show SMILES [H][C@]12[C@H](OC(C)=O)OC=C1[C@H](C[C@]1([H])[C@]2(C)CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21C=O)OC(C)=O |r,c:8| Show InChI InChI=1S/C29H42O6/c1-17(31)34-20-14-23-27(5)12-8-21-26(3,4)10-7-11-29(21,16-30)22(27)9-13-28(23,6)24-19(20)15-33-25(24)35-18(2)32/h15-16,20-25H,7-14H2,1-6H3/t20-,21-,22-,23-,24+,25-,27+,28-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea isocitrate lyase				J Nat Prod 71: 1866-71 (2008) Article DOI: 10.1021/np8003694 BindingDB Entry DOI: 10.7270/Q20P12VX
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50440008 (CHEMBL2425402) Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C35H63N7O9/c1-18(2)13-23(36)30(45)41-29(22(9)43)34(49)39-24(14-19(3)4)31(46)37-17-28(44)42-12-10-11-27(42)33(48)38-25(15-20(5)6)32(47)40-26(35(50)51)16-21(7)8/h18-27,29,43H,10-17,36H2,1-9H3,(H,37,46)(H,38,48)(H,39,49)(H,40,47)(H,41,45)(H,50,51)/t22-,23+,24+,25+,26+,27+,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...				Citation and Details Article DOI: 10.1007/s00044-013-0845-4 BindingDB Entry DOI: 10.7270/Q27H1M17
					More data for this Ligand-Target Pair
Isocitrate lyase (Mycobacterium tuberculosis)	BDBM50440009 (CHEMBL2425401) Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O |r| Show InChI InChI=1S/C34H58N10O11/c1-15(2)10-21(35)28(48)43-27(19(7)46)33(53)40-22(8-9-25(36)47)29(49)42-24(12-20-13-37-14-38-20)30(50)41-23(11-16(3)4)31(51)44-26(18(6)45)32(52)39-17(5)34(54)55/h13-19,21-24,26-27,45-46H,8-12,35H2,1-7H3,(H2,36,47)(H,37,38)(H,39,52)(H,40,53)(H,41,50)(H,42,49)(H,43,48)(H,44,51)(H,54,55)/t17-,18+,19+,21-,22-,23-,24-,26-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.14E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis recombinant isocitrate lyase expressed in Escherichia coli BL21 (DE3) using isocitrate as substrate after 10...				Citation and Details Article DOI: 10.1007/s00044-013-0845-4 BindingDB Entry DOI: 10.7270/Q27H1M17
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50480799 (CHEMBL573363) Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4(C)[C@H](C=O)C(=CC[C@@]34[H])C(=O)OC)[C@@]1(COC(C)=O)CCCC2(C)C |r,c:15| Show InChI InChI=1S/C28H42O5/c1-18(30)33-17-28-13-7-12-25(2,3)21(28)10-15-27(5)22-9-8-19(24(31)32-6)20(16-29)26(22,4)14-11-23(27)28/h8,16,20-23H,7,9-15,17H2,1-6H3/t20-,21+,22-,23+,26-,27+,28-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea isocitrate lyase				J Nat Prod 71: 1866-71 (2008) Article DOI: 10.1021/np8003694 BindingDB Entry DOI: 10.7270/Q20P12VX
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50480794 (CHEMBL573400) Show SMILES [H][C@]12[C@H](OC(C)=O)OC(=O)C1=CC[C@]1([H])[C@]2(C)CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)CCC[C@]21CO |r,c:11| Show InChI InChI=1S/C27H40O5/c1-16(29)31-23-21-17(22(30)32-23)7-8-19-25(4)13-9-18-24(2,3)11-6-12-27(18,15-28)20(25)10-14-26(19,21)5/h7,18-21,23,28H,6,8-15H2,1-5H3/t18-,19-,20-,21+,23+,25-,26-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.24E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea isocitrate lyase				J Nat Prod 71: 1866-71 (2008) Article DOI: 10.1021/np8003694 BindingDB Entry DOI: 10.7270/Q20P12VX
					More data for this Ligand-Target Pair
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50480806 (CHEMBL574761) Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4(C)[C@H](C=O)C(=CC[C@@]34[H])C(O)=O)[C@@]1(COC(C)=O)CCCC2(C)C |r,c:15| Show InChI InChI=1S/C27H40O5/c1-17(29)32-16-27-12-6-11-24(2,3)20(27)9-14-26(5)21-8-7-18(23(30)31)19(15-28)25(21,4)13-10-22(26)27/h7,15,19-22H,6,8-14,16H2,1-5H3,(H,30,31)/t19-,20+,21-,22+,25-,26+,27-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.24E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea isocitrate lyase				J Nat Prod 71: 1866-71 (2008) Article DOI: 10.1021/np8003694 BindingDB Entry DOI: 10.7270/Q20P12VX
					More data for this Ligand-Target Pair

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