Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'forino' and Initial = 'm'   

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
Lethal factor (Bacillus anthracis)	BDBM8443 (2-[(5Z)-5-({5-[2-chloro-5-(trifluoromethyl)phenyl]...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)C1=O Show InChI InChI=1S/C17H9ClF3NO4S2/c18-11-3-1-8(17(19,20)21)5-10(11)12-4-2-9(26-12)6-13-15(25)22(7-14(23)24)16(27)28-13/h1-6H,7H2,(H,23,24)/b13-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8435 (3-[(5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylide...) Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2)C1=O Show InChI InChI=1S/C17H12ClNO4S2/c18-11-3-1-10(2-4-11)13-6-5-12(23-13)9-14-16(22)19(17(24)25-14)8-7-15(20)21/h1-6,9H,7-8H2,(H,20,21)/b14-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	800	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM15186 (4-(5-{[(5E)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cy...) Show SMILES Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3ccc(C(O)=O)c(Cl)c3)c12 |w:15.15| Show InChI InChI=1S/C24H15ClN4O3/c1-11-16(21-12(2)18(10-27)23(28)29-22(21)17(11)9-26)8-14-4-6-20(32-14)13-3-5-15(24(30)31)19(25)7-13/h3-8,29H,1,28H2,2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+3	-34.0	2.60E+3	n/a	n/a	n/a	n/a	7.5	25
The Burnham Institute					Assay Description The Z-LYTE assay (Invitrogen Corporation) employs a FRET-based, coupled-enzyme format and is based on the differential sensitivity of phosphorylated ...				J Med Chem 48: 2278-81 (2005) Article DOI: 10.1021/jm048962u BindingDB Entry DOI: 10.7270/Q2KD1W4Z
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM10215 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-[3-(trifluo...) Show SMILES FC(F)(F)c1cccc(c1)-c1csc(n1)C1COc2ccccc2O1 Show InChI InChI=1S/C18H12F3NO2S/c19-18(20,21)12-5-3-4-11(8-12)13-10-25-17(22-13)16-9-23-14-6-1-2-7-15(14)24-16/h1-8,10,16H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute					Assay Description Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...				J Med Chem 48: 1649-56 (2005) Article DOI: 10.1021/jm0493212 BindingDB Entry DOI: 10.7270/Q2GT5KDJ
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM15187 (3-[(2E)-3-(1H-1,3-benzodiazol-2-yl)prop-2-enoyl]-6...) Show SMILES Clc1ccc2[nH]c(=O)c(C(=O)\C=C\c3nc4ccccc4[nH]3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C25H16ClN3O2/c26-16-10-11-18-17(14-16)23(15-6-2-1-3-7-15)24(25(31)29-18)21(30)12-13-22-27-19-8-4-5-9-20(19)28-22/h1-14H,(H,27,28)(H,29,31)/b13-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	3.90E+3	-30.9	4.50E+3	n/a	n/a	n/a	n/a	7.5	25
The Burnham Institute					Assay Description The Z-LYTE assay (Invitrogen Corporation) employs a FRET-based, coupled-enzyme format and is based on the differential sensitivity of phosphorylated ...				J Med Chem 48: 2278-81 (2005) Article DOI: 10.1021/jm048962u BindingDB Entry DOI: 10.7270/Q2KD1W4Z
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM10215 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-[3-(trifluo...) Show SMILES FC(F)(F)c1cccc(c1)-c1csc(n1)C1COc2ccccc2O1 Show InChI InChI=1S/C18H12F3NO2S/c19-18(20,21)12-5-3-4-11(8-12)13-10-25-17(22-13)16-9-23-14-6-1-2-7-15(14)24-16/h1-8,10,16H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30E+3	-30.3	n/a	n/a	n/a	n/a	n/a	7.5	22
Burnham Institute					Assay Description Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...				J Med Chem 48: 1649-56 (2005) Article DOI: 10.1021/jm0493212 BindingDB Entry DOI: 10.7270/Q2GT5KDJ
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10215 (2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-[3-(trifluo...) Show SMILES FC(F)(F)c1cccc(c1)-c1csc(n1)C1COc2ccccc2O1 Show InChI InChI=1S/C18H12F3NO2S/c19-18(20,21)12-5-3-4-11(8-12)13-10-25-17(22-13)16-9-23-14-6-1-2-7-15(14)24-16/h1-8,10,16H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute					Assay Description Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...				J Med Chem 48: 1649-56 (2005) Article DOI: 10.1021/jm0493212 BindingDB Entry DOI: 10.7270/Q2GT5KDJ
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM15188 (5-{5-[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)me...) Show SMILES [#8]-[#6](=O)-c1cc(ccc1-[#8])-c1ccc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)o1 Show InChI InChI=1S/C21H12O6/c22-17-7-5-11(9-15(17)21(25)26)18-8-6-12(27-18)10-16-19(23)13-3-1-2-4-14(13)20(16)24/h1-10,22H,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.08E+4	-26.7	2.51E+4	n/a	n/a	n/a	n/a	7.5	25
The Burnham Institute					Assay Description The Z-LYTE assay (Invitrogen Corporation) employs a FRET-based, coupled-enzyme format and is based on the differential sensitivity of phosphorylated ...				J Med Chem 48: 2278-81 (2005) Article DOI: 10.1021/jm048962u BindingDB Entry DOI: 10.7270/Q2KD1W4Z
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM10216 (BI-7E7 | Burnham Institute Compound 2 | ethyl 2-(2...) Show SMILES CCOC(=O)c1csc(n1)C1COc2ccccc2O1 Show InChI InChI=1S/C14H13NO4S/c1-2-17-14(16)9-8-20-13(15-9)12-7-18-10-5-3-4-6-11(10)19-12/h3-6,8,12H,2,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute					Assay Description Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...				J Med Chem 48: 1649-56 (2005) Article DOI: 10.1021/jm0493212 BindingDB Entry DOI: 10.7270/Q2GT5KDJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8442 (2-[(5Z)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methy...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O Show InChI InChI=1S/C16H9Cl2NO4S2/c17-10-3-1-8(5-11(10)18)12-4-2-9(23-12)6-13-15(22)19(7-14(20)21)16(24)25-13/h1-6H,7H2,(H,20,21)/b13-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	265	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8441 (2-[(5Z)-5-{[5-(3-chloro-4-methoxyphenyl)furan-2-yl...) Show SMILES COc1ccc(cc1Cl)-c1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)o1 Show InChI InChI=1S/C17H12ClNO5S2/c1-23-13-4-2-9(6-11(13)18)12-5-3-10(24-12)7-14-16(22)19(8-15(20)21)17(25)26-14/h2-7H,8H2,1H3,(H,20,21)/b14-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	298	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8439 (2-[(5Z)-5-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]m...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2N(=O)=O)C1=O Show InChI InChI=1S/C16H9ClN2O6S2/c17-8-1-3-10(11(5-8)19(23)24)12-4-2-9(25-12)6-13-15(22)18(7-14(20)21)16(26)27-13/h1-6H,7H2,(H,20,21)/b13-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8444 (2-[(5Z)-4-oxo-5-[(5-phenylthiophen-2-yl)methyliden...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(s2)-c2ccccc2)C1=O Show InChI InChI=1S/C16H11NO3S3/c18-14(19)9-17-15(20)13(23-16(17)21)8-11-6-7-12(22-11)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)/b13-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8438 (2-[(5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methyliden...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O Show InChI InChI=1S/C16H10BrNO4S2/c17-10-3-1-9(2-4-10)12-6-5-11(22-12)7-13-15(21)18(8-14(19)20)16(23)24-13/h1-7H,8H2,(H,19,20)/b13-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8437 (2-[(5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylide...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2)C1=O Show InChI InChI=1S/C16H10ClNO4S2/c17-10-3-1-9(2-4-10)12-6-5-11(22-12)7-13-15(21)18(8-14(19)20)16(23)24-13/h1-7H,8H2,(H,19,20)/b13-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8458 (5-[(5-phenylthiophen-2-yl)methylidene]-2-sulfanyli...) Show SMILES O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]/c1ccc(s1)-c1ccccc1 Show InChI InChI=1S/C15H10N2O2S2/c18-13-11(14(19)17-15(20)16-13)8-10-6-7-12(21-10)9-4-2-1-3-5-9/h1-8H,(H2,16,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8456 (5-({5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-...) Show SMILES FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1 Show InChI InChI=1S/C16H8ClF3N2O3S/c17-11-3-1-7(16(18,19)20)5-9(11)12-4-2-8(25-12)6-10-13(23)21-15(26)22-14(10)24/h1-6H,(H2,21,22,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8447 (2-[(5Z)-5-[(5-{[(5Z)-3-(carboxymethyl)-4-oxo-2-sul...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(\C=C3/SC(=S)N(CC(O)=O)C3=O)s2)C1=O Show InChI InChI=1S/C16H10N2O6S5/c19-11(20)5-17-13(23)9(28-15(17)25)3-7-1-2-8(27-7)4-10-14(24)18(6-12(21)22)16(26)29-10/h1-4H,5-6H2,(H,19,20)(H,21,22)/b9-3-,10-4-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50384998 (CVD-0019905 | XANTHOHUMOL) Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c1-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])cc1 Show InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Inhibition of recombinant human 5-LO expressed in Escherichia coli MV1190 cells preincubated for 10 mins followed by addition of arachidonic acid as ...				J Nat Prod 79: 590-7 (2016) Article DOI: 10.1021/acs.jnatprod.5b01052 BindingDB Entry DOI: 10.7270/Q2639RNJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8457 (5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-...) Show SMILES Clc1ccc(cc1Cl)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1 Show InChI InChI=1S/C15H8Cl2N2O3S/c16-10-3-1-7(5-11(10)17)12-4-2-8(22-12)6-9-13(20)18-15(23)19-14(9)21/h1-6H,(H2,18,19,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8434 (4-[(5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methyliden...) Show SMILES OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O Show InChI InChI=1S/C18H14BrNO4S2/c19-12-5-3-11(4-6-12)14-8-7-13(24-14)10-15-17(23)20(18(25)26-15)9-1-2-16(21)22/h3-8,10H,1-2,9H2,(H,21,22)/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8459 (2-[(5Z)-4-oxo-2-sulfanylidene-5-{[5-(thiophen-2-yl...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(s2)-c2cccs2)C1=O Show InChI InChI=1S/C14H9NO3S4/c16-12(17)7-15-13(18)11(22-14(15)19)6-8-3-4-10(21-8)9-2-1-5-20-9/h1-6H,7H2,(H,16,17)/b11-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8432 (3-[(5Z)-5-{[5-(4-nitrophenyl)furan-2-yl]methyliden...) Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)N(=O)=O)C1=O Show InChI InChI=1S/C17H12N2O6S2/c20-15(21)7-8-18-16(22)14(27-17(18)26)9-12-5-6-13(25-12)10-1-3-11(4-2-10)19(23)24/h1-6,9H,7-8H2,(H,20,21)/b14-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8433 (2-chloro-4-(5-{[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-su...) Show SMILES OC(=O)c1ccc(cc1Cl)-c1ccc(\C=C2/SC(=S)N(CC=C)C2=O)o1 Show InChI InChI=1S/C18H12ClNO4S2/c1-2-7-20-16(21)15(26-18(20)25)9-11-4-6-14(24-11)10-3-5-12(17(22)23)13(19)8-10/h2-6,8-9H,1,7H2,(H,22,23)/b15-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8431 (4-(5-{[(5Z)-4-oxo-2-sulfanylidene-3-[3-(trifluorom...) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)o1 Show InChI InChI=1S/C22H12F3NO4S2/c23-22(24,25)14-2-1-3-15(10-14)26-19(27)18(32-21(26)31)11-16-8-9-17(30-16)12-4-6-13(7-5-12)20(28)29/h1-11H,(H,28,29)/b18-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50384998 (CVD-0019905 | XANTHOHUMOL) Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c1-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])cc1 Show InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Inhibition of 5-LO in human polymorphonuclear leukocytes preincubated for 10 mins followed by addition of arachidonic acid as substrate measured afte...				J Nat Prod 79: 590-7 (2016) Article DOI: 10.1021/acs.jnatprod.5b01052 BindingDB Entry DOI: 10.7270/Q2639RNJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8464 (5-{[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyli...) Show SMILES [#6]-[#8]-c1ccc(cc1Cl)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1 Show InChI InChI=1S/C16H11ClN2O4S/c1-22-13-4-2-8(6-11(13)17)12-5-3-9(23-12)7-10-14(20)18-16(24)19-15(10)21/h2-7H,1H3,(H2,18,19,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8440 (2-[(5Z)-5-{[5-(2-nitrophenyl)furan-2-yl]methyliden...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2N(=O)=O)C1=O Show InChI InChI=1S/C16H10N2O6S2/c19-14(20)8-17-15(21)13(26-16(17)25)7-9-5-6-12(24-9)10-3-1-2-4-11(10)18(22)23/h1-7H,8H2,(H,19,20)/b13-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8430 (2-[(5Z)-5-{[5-(3-nitrophenyl)furan-2-yl]methyliden...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)N(=O)=O)C1=O Show InChI InChI=1S/C16H10N2O6S2/c19-14(20)8-17-15(21)13(26-16(17)25)7-11-4-5-12(24-11)9-2-1-3-10(6-9)18(22)23/h1-7H,8H2,(H,19,20)/b13-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8446 (2-[(5Z)-5-{[5-(4-chlorophenyl)thiophen-2-yl]methyl...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(s2)-c2ccc(Cl)cc2)C1=O Show InChI InChI=1S/C16H10ClNO3S3/c17-10-3-1-9(2-4-10)12-6-5-11(23-12)7-13-15(21)18(8-14(19)20)16(22)24-13/h1-7H,8H2,(H,19,20)/b13-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8460 (5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-2-su...) Show SMILES Clc1ccc(cc1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1 Show InChI InChI=1S/C15H9ClN2O3S/c16-9-3-1-8(2-4-9)12-6-5-10(21-12)7-11-13(19)17-15(22)18-14(11)20/h1-7H,(H2,17,18,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8451 (2-[(5Z)-5-{[5-(4-bromophenyl)-1,3-thiazol-2-yl]met...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ncc(s2)-c2ccc(Br)cc2)C1=O Show InChI InChI=1S/C15H9BrN2O3S3/c16-9-3-1-8(2-4-9)11-6-17-12(23-11)5-10-14(21)18(7-13(19)20)15(22)24-10/h1-6H,7H2,(H,19,20)/b10-5-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8429 (4-(5-{[(5Z)-3-(4-nitrophenyl)-4-oxo-2-sulfanyliden...) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C2=O)c2ccc(cc2)N(=O)=O)o1 Show InChI InChI=1S/C21H12N2O6S2/c24-19-18(31-21(30)22(19)14-5-7-15(8-6-14)23(27)28)11-16-9-10-17(29-16)12-1-3-13(4-2-12)20(25)26/h1-11H,(H,25,26)/b18-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8450 (2-[(5Z)-5-{[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-...) Show SMILES COc1ccc(cc1OC)-c1cnc(\C=C2/SC(=S)N(CC(O)=O)C2=O)s1 Show InChI InChI=1S/C17H14N2O5S3/c1-23-10-4-3-9(5-11(10)24-2)13-7-18-14(26-13)6-12-16(22)19(8-15(20)21)17(25)27-12/h3-7H,8H2,1-2H3,(H,20,21)/b12-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8428 (2-[(5Z)-5-{[5-(4-iodophenyl)furan-2-yl]methylidene...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(I)cc2)C1=O Show InChI InChI=1S/C16H10INO4S2/c17-10-3-1-9(2-4-10)12-6-5-11(22-12)7-13-15(21)18(8-14(19)20)16(23)24-13/h1-7H,8H2,(H,19,20)/b13-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8463 (2-[(5Z)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methy...) Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O Show InChI InChI=1S/C16H9Cl2NO5S/c17-10-3-1-8(5-11(10)18)12-4-2-9(24-12)6-13-15(22)19(7-14(20)21)16(23)25-13/h1-6H,7H2,(H,20,21)/b13-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50177002 (CHEMBL3814590) Show SMILES [#6]-[#6](-[#6])-[#6](=O)-[#6]-1=[#6](-[#8])C([#8])([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)C([#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](/[#6])-[#6])[#6]-1=O |c:5| Show InChI InChI=1S/C25H36O5/c1-15(2)9-12-24(13-10-16(3)4)21(27)19(20(26)18(7)8)22(28)25(30,23(24)29)14-11-17(5)6/h9-11,18,28,30H,12-14H2,1-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Inhibition of recombinant human 5-LO expressed in Escherichia coli MV1190 cells preincubated for 10 mins followed by addition of arachidonic acid as ...				J Nat Prod 79: 590-7 (2016) Article DOI: 10.1021/acs.jnatprod.5b01052 BindingDB Entry DOI: 10.7270/Q2639RNJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8452 (2-[(5Z)-5-({5-[2-chloro-5-(trifluoromethyl)phenyl]...) Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)C1=O Show InChI InChI=1S/C17H9ClF3NO5S/c18-11-3-1-8(17(19,20)21)5-10(11)12-4-2-9(27-12)6-13-15(25)22(7-14(23)24)16(26)28-13/h1-6H,7H2,(H,23,24)/b13-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8427 (4-(5-{[(5Z)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thi...) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1 Show InChI InChI=1S/C22H15NO4S2/c24-20-19(29-22(28)23(20)13-14-4-2-1-3-5-14)12-17-10-11-18(27-17)15-6-8-16(9-7-15)21(25)26/h1-12H,13H2,(H,25,26)/b19-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8426 ((5Z)-5-{[5-(4-bromo-3-chlorophenyl)furan-2-yl]meth...) Show SMILES Clc1cc(ccc1Br)-c1ccc(\C=C2/SC(=S)NC2=O)o1 Show InChI InChI=1S/C14H7BrClNO2S2/c15-9-3-1-7(5-10(9)16)11-4-2-8(19-11)6-12-13(18)17-14(20)21-12/h1-6H,(H,17,18,20)/b12-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8425 ((5Z)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylid...) Show SMILES Clc1ccc(cc1Cl)-c1ccc(\C=C2/SC(=S)NC2=O)o1 Show InChI InChI=1S/C14H7Cl2NO2S2/c15-9-3-1-7(5-10(9)16)11-4-2-8(19-11)6-12-13(18)17-14(20)21-12/h1-6H,(H,17,18,20)/b12-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8424 (2-[(5Z)-4-oxo-5-{[5-(4-sulfamoylphenyl)furan-2-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)o1 Show InChI InChI=1S/C16H12N2O6S3/c17-27(22,23)11-4-1-9(2-5-11)12-6-3-10(24-12)7-13-15(21)18(8-14(19)20)16(25)26-13/h1-7H,8H2,(H,19,20)(H2,17,22,23)/b13-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50177000 (CHEMBL3814665) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#6]-1=[#6](-[#8])-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6](-[#8])[C@]([#8])([#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O |r,c:6,t:14| Show InChI InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Inhibition of recombinant human 5-LO expressed in Escherichia coli MV1190 cells preincubated for 10 mins followed by addition of arachidonic acid as ...				J Nat Prod 79: 590-7 (2016) Article DOI: 10.1021/acs.jnatprod.5b01052 BindingDB Entry DOI: 10.7270/Q2639RNJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8423 (2-chloro-4-(5-{[(5Z)-4-oxo-3-(pyridin-3-ylmethyl)-...) Show SMILES OC(=O)c1ccc(cc1Cl)-c1ccc(\C=C2/SC(=S)N(Cc3cccnc3)C2=O)o1 Show InChI InChI=1S/C21H13ClN2O4S2/c22-16-8-13(3-5-15(16)20(26)27)17-6-4-14(28-17)9-18-19(25)24(21(29)30-18)11-12-2-1-7-23-10-12/h1-10H,11H2,(H,26,27)/b18-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8449 (2-[(5Z)-5-{[5-(4-chlorophenyl)-1,3-thiazol-2-yl]me...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ncc(s2)-c2ccc(Cl)cc2)C1=O Show InChI InChI=1S/C15H9ClN2O3S3/c16-9-3-1-8(2-4-9)11-6-17-12(23-11)5-10-14(21)18(7-13(19)20)15(22)24-10/h1-6H,7H2,(H,19,20)/b10-5-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50177001 (Xanthohumol C) Show SMILES COc1cc2OC(C)(C)C=Cc2c(O)c1C(=O)\C=C\c1ccc(O)cc1 |c:9| Show InChI InChI=1S/C21H20O5/c1-21(2)11-10-15-17(26-21)12-18(25-3)19(20(15)24)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24H,1-3H3/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Inhibition of 5-LO in human polymorphonuclear leukocytes preincubated for 10 mins followed by addition of arachidonic acid as substrate measured afte...				J Nat Prod 79: 590-7 (2016) Article DOI: 10.1021/acs.jnatprod.5b01052 BindingDB Entry DOI: 10.7270/Q2639RNJ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50177000 (CHEMBL3814665) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#6]-1=[#6](-[#8])-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6](-[#8])[C@]([#8])([#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O |r,c:6,t:14| Show InChI InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Inhibition of 5-LO in human polymorphonuclear leukocytes preincubated for 10 mins followed by addition of arachidonic acid as substrate measured afte...				J Nat Prod 79: 590-7 (2016) Article DOI: 10.1021/acs.jnatprod.5b01052 BindingDB Entry DOI: 10.7270/Q2639RNJ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50177003 (CHEMBL3813911) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#6]-1=[#6](-[#8])-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]2-[#8]-[#6@H](-[#6][C@@]2([#8])[#6]-1=O)C([#6])([#6])[#8] |r,c:6,t:14| Show InChI InChI=1S/C21H30O6/c1-11(2)7-8-13-17(23)16(14(22)9-12(3)4)18(24)21(26)10-15(20(5,6)25)27-19(13)21/h7,12,15,23,25-26H,8-10H2,1-6H3/t15-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Inhibition of recombinant human 5-LO expressed in Escherichia coli MV1190 cells preincubated for 10 mins followed by addition of arachidonic acid as ...				J Nat Prod 79: 590-7 (2016) Article DOI: 10.1021/acs.jnatprod.5b01052 BindingDB Entry DOI: 10.7270/Q2639RNJ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM19460 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1 |r| Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Inhibition of recombinant human 5-LO expressed in Escherichia coli MV1190 cells preincubated for 10 mins followed by addition of arachidonic acid as ...				J Nat Prod 79: 590-7 (2016) Article DOI: 10.1021/acs.jnatprod.5b01052 BindingDB Entry DOI: 10.7270/Q2639RNJ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50177002 (CHEMBL3814590) Show SMILES [#6]-[#6](-[#6])-[#6](=O)-[#6]-1=[#6](-[#8])C([#8])([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)C([#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](/[#6])-[#6])[#6]-1=O |c:5| Show InChI InChI=1S/C25H36O5/c1-15(2)9-12-24(13-10-16(3)4)21(27)19(20(26)18(7)8)22(28)25(30,23(24)29)14-11-17(5)6/h9-11,18,28,30H,12-14H2,1-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Inhibition of 5-LO in human polymorphonuclear leukocytes preincubated for 10 mins followed by addition of arachidonic acid as substrate measured afte...				J Nat Prod 79: 590-7 (2016) Article DOI: 10.1021/acs.jnatprod.5b01052 BindingDB Entry DOI: 10.7270/Q2639RNJ
					More data for this Ligand-Target Pair

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