Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'kim' and Initial = 'ti'   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50310255 (CHEMBL592228 | epicatechin-(4beta-6)-epicatechin-(...) Show SMILES O[C@@H]1Cc2c(O)cc(O)c(C3[C@@H](O)[C@H](Oc4cc(O)c([C@@H]5[C@@H](O)[C@H](Oc6cc(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C45H38O18/c46-18-10-27(54)33-31(11-18)61-43(16-2-5-21(48)25(52)8-16)40(59)37(33)34-29(56)14-32-36(39(34)58)38(41(60)44(62-32)17-3-6-22(49)26(53)9-17)35-28(55)13-23(50)19-12-30(57)42(63-45(19)35)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37-,38?,40-,41-,42-,43-,44-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Wonkwang University Sanbon Medical Center Curated by ChEMBL					Assay Description Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins by fluorescence plate reader				Bioorg Med Chem Lett 20: 991-3 (2010) Article DOI: 10.1016/j.bmcl.2009.12.059 BindingDB Entry DOI: 10.7270/Q2NP24J0
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50310255 (CHEMBL592228 | epicatechin-(4beta-6)-epicatechin-(...) Show SMILES O[C@@H]1Cc2c(O)cc(O)c(C3[C@@H](O)[C@H](Oc4cc(O)c([C@@H]5[C@@H](O)[C@H](Oc6cc(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C45H38O18/c46-18-10-27(54)33-31(11-18)61-43(16-2-5-21(48)25(52)8-16)40(59)37(33)34-29(56)14-32-36(39(34)58)38(41(60)44(62-32)17-3-6-22(49)26(53)9-17)35-28(55)13-23(50)19-12-30(57)42(63-45(19)35)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37-,38?,40-,41-,42-,43-,44-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wonkwang University Sanbon Medical Center Curated by ChEMBL					Assay Description Inhibition of human neutrophils gelatinase B after 30 mins by fluorescence plate reader				Bioorg Med Chem Lett 20: 991-3 (2010) Article DOI: 10.1016/j.bmcl.2009.12.059 BindingDB Entry DOI: 10.7270/Q2NP24J0
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50170723 (1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide...) Show SMILES NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,5.5| Show InChI InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wonkwang University Sanbon Medical Center Curated by ChEMBL					Assay Description Inhibition of human neutrophils gelatinase B after 30 mins by fluorescence plate reader				Bioorg Med Chem Lett 20: 991-3 (2010) Article DOI: 10.1016/j.bmcl.2009.12.059 BindingDB Entry DOI: 10.7270/Q2NP24J0
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50170723 (1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide...) Show SMILES NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,5.5| Show InChI InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wonkwang University Sanbon Medical Center Curated by ChEMBL					Assay Description Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins by fluorescence plate reader				Bioorg Med Chem Lett 20: 991-3 (2010) Article DOI: 10.1016/j.bmcl.2009.12.059 BindingDB Entry DOI: 10.7270/Q2NP24J0
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50310254 (CHEMBL592329 | epicatechin-(4beta-8)-epicatechin-(...) Show SMILES O[C@@H]1Cc2c(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc(O)c4[C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C45H38O18/c46-18-10-26(53)33-32(11-18)62-43(16-2-5-21(48)24(51)8-16)40(59)37(33)35-27(54)13-28(55)36-38(41(60)44(63-45(35)36)17-3-6-22(49)25(52)9-17)34-29(56)14-31-19(39(34)58)12-30(57)42(61-31)15-1-4-20(47)23(50)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37-,38+,40-,41-,42-,43-,44-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wonkwang University Sanbon Medical Center Curated by ChEMBL					Assay Description Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins by fluorescence plate reader				Bioorg Med Chem Lett 20: 991-3 (2010) Article DOI: 10.1016/j.bmcl.2009.12.059 BindingDB Entry DOI: 10.7270/Q2NP24J0
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50476977 (Isoaaptamine) Show SMILES COc1cc2ccnc3ccn(C)c(c1O)c23 Show InChI InChI=1S/C13H12N2O2/c1-15-6-4-9-11-8(3-5-14-9)7-10(17-2)13(16)12(11)15/h3-7,16H,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of SrtA				Bioorg Med Chem Lett 17: 5366-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.007 BindingDB Entry DOI: 10.7270/Q29S1TSZ
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50203126 (3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of SrtA				Bioorg Med Chem Lett 17: 5366-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.007 BindingDB Entry DOI: 10.7270/Q29S1TSZ
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50310254 (CHEMBL592329 | epicatechin-(4beta-8)-epicatechin-(...) Show SMILES O[C@@H]1Cc2c(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc(O)c4[C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C45H38O18/c46-18-10-26(53)33-32(11-18)62-43(16-2-5-21(48)24(51)8-16)40(59)37(33)35-27(54)13-28(55)36-38(41(60)44(63-45(35)36)17-3-6-22(49)25(52)9-17)34-29(56)14-31-19(39(34)58)12-30(57)42(61-31)15-1-4-20(47)23(50)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37-,38+,40-,41-,42-,43-,44-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wonkwang University Sanbon Medical Center Curated by ChEMBL					Assay Description Inhibition of human neutrophils gelatinase B after 30 mins by fluorescence plate reader				Bioorg Med Chem Lett 20: 991-3 (2010) Article DOI: 10.1016/j.bmcl.2009.12.059 BindingDB Entry DOI: 10.7270/Q2NP24J0
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50274514 (CHEMBL492072 | [amino(dimethylamino)methylidene]az...) Show SMILES C[C@@H]1CC[C@@]2(C)[C@H](CCCC2=C)[C@@]1(C)CC[C@H](CCCc1ccoc1)COS([O-])(=O)=O |r| 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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of candida albicans isocitrate lyase				Bioorg Med Chem Lett 18: 5377-80 (2008) Article DOI: 10.1016/j.bmcl.2008.09.059 BindingDB Entry DOI: 10.7270/Q2BV7HKT
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50240460 ((2R,3R,4R,2'R,3'R,4'S,2''R,3''R)-2,2',2''-Tris-(3,...) Show SMILES O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c([C@@H]5[C@@H](O)[C@H](Oc6cc(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wonkwang University Sanbon Medical Center Curated by ChEMBL					Assay Description Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins by fluorescence plate reader				Bioorg Med Chem Lett 20: 991-3 (2010) Article DOI: 10.1016/j.bmcl.2009.12.059 BindingDB Entry DOI: 10.7270/Q2NP24J0
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50274513 (CHEMBL483377 | [amino(dimethylamino)methylidene]az...) Show SMILES C[C@@H]1CCC2=C(CCCC2(C)C)[C@@]1(C)CC[C@H](CCCc1ccoc1)COS([O-])(=O)=O |r,t:4| Show InChI InChI=1S/C25H40O5S/c1-19-10-11-22-23(9-6-14-24(22,2)3)25(19,4)15-12-20(18-30-31(26,27)28)7-5-8-21-13-16-29-17-21/h13,16-17,19-20H,5-12,14-15,18H2,1-4H3,(H,26,27,28)/p-1/t19-,20+,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of candida albicans isocitrate lyase				Bioorg Med Chem Lett 18: 5377-80 (2008) Article DOI: 10.1016/j.bmcl.2008.09.059 BindingDB Entry DOI: 10.7270/Q2BV7HKT
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50310256 (CHEMBL592373 | epicatechin-(4beta-8)-epicatechin-(...) Show SMILES O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc(O)c4[C@@H]3[C@@H](O)[C@H](Oc4c([C@@H]5[C@@H](O)[C@H](Oc6c([C@@H]7[C@@H](O)[C@H](Oc8cc(O)cc(O)c78)c7ccc(O)c(O)c7)c(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)cc(O)c34)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60+,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wonkwang University Sanbon Medical Center Curated by ChEMBL					Assay Description Inhibition of human neutrophils gelatinase B after 30 mins by fluorescence plate reader				Bioorg Med Chem Lett 20: 991-3 (2010) Article DOI: 10.1016/j.bmcl.2009.12.059 BindingDB Entry DOI: 10.7270/Q2NP24J0
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50310256 (CHEMBL592373 | epicatechin-(4beta-8)-epicatechin-(...) Show SMILES O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc(O)c4[C@@H]3[C@@H](O)[C@H](Oc4c([C@@H]5[C@@H](O)[C@H](Oc6c([C@@H]7[C@@H](O)[C@H](Oc8cc(O)cc(O)c78)c7ccc(O)c(O)c7)c(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)cc(O)c34)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60+,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wonkwang University Sanbon Medical Center Curated by ChEMBL					Assay Description Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins by fluorescence plate reader				Bioorg Med Chem Lett 20: 991-3 (2010) Article DOI: 10.1016/j.bmcl.2009.12.059 BindingDB Entry DOI: 10.7270/Q2NP24J0
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	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	5.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 19: 1051-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.017 BindingDB Entry DOI: 10.7270/Q2CC11MP
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	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	5.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of candida albicans isocitrate lyase				Bioorg Med Chem Lett 18: 5377-80 (2008) Article DOI: 10.1016/j.bmcl.2008.09.059 BindingDB Entry DOI: 10.7270/Q2BV7HKT
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50240460 ((2R,3R,4R,2'R,3'R,4'S,2''R,3''R)-2,2',2''-Tris-(3,...) Show SMILES O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c([C@@H]5[C@@H](O)[C@H](Oc6cc(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wonkwang University Sanbon Medical Center Curated by ChEMBL					Assay Description Inhibition of human neutrophils gelatinase B after 30 mins by fluorescence plate reader				Bioorg Med Chem Lett 20: 991-3 (2010) Article DOI: 10.1016/j.bmcl.2009.12.059 BindingDB Entry DOI: 10.7270/Q2NP24J0
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of candida albicans isocitrate lyase				Bioorg Med Chem Lett 18: 5377-80 (2008) Article DOI: 10.1016/j.bmcl.2008.09.059 BindingDB Entry DOI: 10.7270/Q2BV7HKT
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50274475 (CHEMBL491665 | sodium (2R,3R)-9-(2,5-dihydroxyphen...) 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| 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/h11,14-15,19,23,26,28-29,32-33H,2,7-10,12-13,16-18,20H2,1,3-6H3,(H,34,35,36)/p-1/b21-11+/t23-,26+,28-,29+,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of candida albicans isocitrate lyase				Bioorg Med Chem Lett 18: 5377-80 (2008) Article DOI: 10.1016/j.bmcl.2008.09.059 BindingDB Entry DOI: 10.7270/Q2BV7HKT
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50274474 (2-(3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetrameth...) Show SMILES C\C(CCC\C(C)=C\Cc1cc(O)ccc1O)=C/C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C |r,c:22| Show InChI InChI=1S/C31H46O2/c1-22(11-14-25-21-26(32)15-17-28(25)33)9-7-10-23(2)12-16-27-24(3)13-18-29-30(4,5)19-8-20-31(27,29)6/h11-13,15,17,21,27,29,32-33H,7-10,14,16,18-20H2,1-6H3/b22-11+,23-12+/t27-,29-,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of candida albicans isocitrate lyase				Bioorg Med Chem Lett 18: 5377-80 (2008) Article DOI: 10.1016/j.bmcl.2008.09.059 BindingDB Entry DOI: 10.7270/Q2BV7HKT
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50476978 (Demethylaaptamine) Show SMILES Oc1cc2ccnc3cc[nH]c(c1O)c23 Show InChI InChI=1S/C11H8N2O2/c14-8-5-6-1-3-12-7-2-4-13-10(9(6)7)11(8)15/h1-5,13-15H	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of SrtA				Bioorg Med Chem Lett 17: 5366-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.007 BindingDB Entry DOI: 10.7270/Q29S1TSZ
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50276442 (CHEMBL459354 | hyrtiosin B) Show SMILES Oc1ccc2[nH]cc(C(=O)C(=O)c3c[nH]c4ccc(O)cc34)c2c1 Show InChI InChI=1S/C18H12N2O4/c21-9-1-3-15-11(5-9)13(7-19-15)17(23)18(24)14-8-20-16-4-2-10(22)6-12(14)16/h1-8,19-22H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 19: 1051-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.017 BindingDB Entry DOI: 10.7270/Q2CC11MP
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50476979 (DEMETHYLOXY-AAPTAMINE | Demethyloxyaaptamine | Dem...) Show SMILES COC1=Cc2ccnc3ccnc(C1=O)c23 |t:2| Show InChI InChI=1S/C12H8N2O2/c1-16-9-6-7-2-4-13-8-3-5-14-11(10(7)8)12(9)15/h2-6H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of SrtA				Bioorg Med Chem Lett 17: 5366-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.007 BindingDB Entry DOI: 10.7270/Q29S1TSZ
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50356012 (AAPTAMINE) Show SMILES COc1cc2ccnc3cc[nH]c(c1OC)c23 Show InChI InChI=1S/C13H12N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h3-7,15H,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of SrtA				Bioorg Med Chem Lett 17: 5366-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.007 BindingDB Entry DOI: 10.7270/Q29S1TSZ
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of candida albicans isocitrate lyase				Bioorg Med Chem Lett 18: 5377-80 (2008) Article DOI: 10.1016/j.bmcl.2008.09.059 BindingDB Entry DOI: 10.7270/Q2BV7HKT
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50274512 (CHEMBL1818097 | CHEMBL484213 | [amino(dimethylamin...) Show SMILES C[C@@H]1CCC=C(C)[C@@]1(C)CC\C(C)=C\CCC(CCCc1ccoc1)COS([O-])(=O)=O |r,t:4| Show InChI InChI=1S/C25H40O5S/c1-20(14-16-25(4)21(2)9-6-10-22(25)3)8-5-11-23(19-30-31(26,27)28)12-7-13-24-15-17-29-18-24/h8-9,15,17-18,22-23H,5-7,10-14,16,19H2,1-4H3,(H,26,27,28)/p-1/b20-8+/t22-,23?,25-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.86E+5	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of candida albicans isocitrate lyase				Bioorg Med Chem Lett 18: 5377-80 (2008) Article DOI: 10.1016/j.bmcl.2008.09.059 BindingDB Entry DOI: 10.7270/Q2BV7HKT
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50276441 (5-hydroxyindole-3-carbaldehyde | CHEMBL506465) Show SMILES Oc1ccc2[nH]cc(C=O)c2c1 Show InChI InChI=1S/C9H7NO2/c11-5-6-4-10-9-2-1-7(12)3-8(6)9/h1-5,10,12H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.47E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 19: 1051-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.017 BindingDB Entry DOI: 10.7270/Q2CC11MP
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 19: 1051-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.017 BindingDB Entry DOI: 10.7270/Q2CC11MP
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50276440 (CHEMBL505766 | hyrtiosin A) Show SMILES OCC(=O)c1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H9NO3/c12-5-10(14)8-4-11-9-2-1-6(13)3-7(8)9/h1-4,11-13H,5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 19: 1051-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.017 BindingDB Entry DOI: 10.7270/Q2CC11MP
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50276408 (1-carboxy-6-hydroxy-3,4-dihydro-beta-carboline | C...) Show SMILES OC(=O)C1=NCCc2c1[nH]c1ccc(O)cc21 |t:3| Show InChI InChI=1S/C12H10N2O3/c15-6-1-2-9-8(5-6)7-3-4-13-11(12(16)17)10(7)14-9/h1-2,5,14-15H,3-4H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 19: 1051-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.017 BindingDB Entry DOI: 10.7270/Q2CC11MP
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50276439 (5-hydroxy-1H-indole-3-carboxylic acid methyl ester...) Show SMILES COC(=O)c1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H9NO3/c1-14-10(13)8-5-11-9-3-2-6(12)4-7(8)9/h2-5,11-12H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 19: 1051-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.017 BindingDB Entry DOI: 10.7270/Q2CC11MP
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50204438 (6-hydroxy-3,4-dihydro-1-oxo-beta-carboline | 6-hyd...) Show SMILES Oc1ccc2[nH]c3c(CCNC3=O)c2c1 Show InChI InChI=1S/C11H10N2O2/c14-6-1-2-9-8(5-6)7-3-4-12-11(15)10(7)13-9/h1-2,5,13-14H,3-4H2,(H,12,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>9.89E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase				Bioorg Med Chem Lett 19: 1051-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.017 BindingDB Entry DOI: 10.7270/Q2CC11MP
					More data for this Ligand-Target Pair