Compile Data Set for Download or QSAR

Found 464 hits with Last Name = 'pei' and Initial = 'd'   

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
Peptide deformylase (Escherichia coli)	BDBM50153088 (CHEMBL365416 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCNC1=O Show InChI InChI=1S/C21H39N3O4/c1-21(2,3)18-20(27)22-14-12-10-8-6-4-5-7-9-11-13-17(19(26)23-18)15-24(28)16-25/h16-18,28H,4-15H2,1-3H3,(H,22,27)(H,23,26)/t17-,18-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153085 (CHEMBL364836 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCNC1=O Show InChI InChI=1S/C20H37N3O4/c1-20(2,3)17-19(26)21-13-11-9-7-5-4-6-8-10-12-16(18(25)22-17)14-23(27)15-24/h15-17,27H,4-14H2,1-3H3,(H,21,26)(H,22,25)/t16-,17-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153083 (CHEMBL441502 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O Show InChI InChI=1S/C19H35N3O4/c1-19(2,3)16-18(25)20-12-10-8-6-4-5-7-9-11-15(17(24)21-16)13-22(26)14-23/h14-16,26H,4-13H2,1-3H3,(H,20,25)(H,21,24)/t15-,16-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50131892 (CHEMBL421252 | N-(3-tert-Butyl-2,5-dioxo-1,4diaza-...) Show SMILES CC(C)(C)[C@@H]1NC(=O)C(CN(O)C=O)CCCCCCCCCNC1=O Show InChI InChI=1S/C19H35N3O4/c1-19(2,3)16-18(25)20-12-10-8-6-4-5-7-9-11-15(17(24)21-16)13-22(26)14-23/h14-16,26H,4-13H2,1-3H3,(H,20,25)(H,21,24)/t15?,16-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity against Co(II)-substituted E. coli peptide deformylase was determined				J Med Chem 46: 3771-4 (2003) Article DOI: 10.1021/jm034113f BindingDB Entry DOI: 10.7270/Q2765DQ4
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153086 (CHEMBL188671 | N-[(1R,2S)-3-(4-Amino-butyl)-2,5-di...) Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O Show InChI InChI=1S/C19H36N4O4/c20-12-8-7-11-17-19(26)21-13-9-5-3-1-2-4-6-10-16(18(25)22-17)14-23(27)15-24/h15-17,27H,1-14,20H2,(H,21,26)(H,22,25)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50104501 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C Show InChI InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Escherichia coli)	BDBM50153084 (CHEMBL361449 | N-(4-{(3R,14S)-14-[(Formyl-hydroxy-...) Show SMILES CC(=O)NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O Show InChI InChI=1S/C21H38N4O5/c1-17(27)22-13-10-8-12-19-21(29)23-14-9-6-4-2-3-5-7-11-18(20(28)24-19)15-25(30)16-26/h16,18-19,30H,2-15H2,1H3,(H,22,27)(H,23,29)(H,24,28)/t18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153087 (CHEMBL188894 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCNC1=O Show InChI InChI=1S/C18H33N3O4/c1-18(2,3)15-17(24)19-11-9-7-5-4-6-8-10-14(16(23)20-15)12-21(25)13-22/h13-15,25H,4-12H2,1-3H3,(H,19,24)(H,20,23)/t14-,15-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153080 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H32N4O4/c1-2-3-9-16(14-24(28)15-25)19(26)23-18(12-7-8-13-21)20(27)22-17-10-5-4-6-11-17/h4-6,10-11,15-16,18,28H,2-3,7-9,12-14,21H2,1H3,(H,22,27)(H,23,26)/t16-,18+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153081 (CHEMBL365910 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O Show InChI InChI=1S/C24H45N3O4/c1-24(2,3)21-23(30)25-17-15-13-11-9-7-5-4-6-8-10-12-14-16-20(22(29)26-21)18-27(31)19-28/h19-21,31H,4-18H2,1-3H3,(H,25,30)(H,26,29)/t20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153079 (CHEMBL364979 | N-[(3S,6R)-3-(4-Amino-butyl)-2,5-di...) Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O Show InChI InChI=1S/C24H46N4O4/c25-17-13-12-16-22-24(31)26-18-14-10-8-6-4-2-1-3-5-7-9-11-15-21(23(30)27-22)19-28(32)20-29/h20-22,32H,1-19,25H2,(H,26,31)(H,27,30)/t21-,22+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by AAP assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153087 (CHEMBL188894 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCNC1=O Show InChI InChI=1S/C18H33N3O4/c1-18(2,3)15-17(24)19-11-9-7-5-4-6-8-10-14(16(23)20-15)12-21(25)13-22/h13-15,25H,4-12H2,1-3H3,(H,19,24)(H,20,23)/t14-,15-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153082 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-heptanoic ac...) Show SMILES CCCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCC)CN(O)C=O Show InChI InChI=1S/C21H42N4O4/c1-3-5-7-11-15-23-21(28)19(13-9-10-14-22)24-20(27)18(12-8-6-4-2)16-25(29)17-26/h17-19,29H,3-16,22H2,1-2H3,(H,23,28)(H,24,27)/t18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153088 (CHEMBL365416 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCNC1=O Show InChI InChI=1S/C21H39N3O4/c1-21(2,3)18-20(27)22-14-12-10-8-6-4-5-7-9-11-13-17(19(26)23-18)15-24(28)16-25/h16-18,28H,4-15H2,1-3H3,(H,22,27)(H,23,26)/t17-,18-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153086 (CHEMBL188671 | N-[(1R,2S)-3-(4-Amino-butyl)-2,5-di...) Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O Show InChI InChI=1S/C19H36N4O4/c20-12-8-7-11-17-19(26)21-13-9-5-3-1-2-4-6-10-16(18(25)22-17)14-23(27)15-24/h15-17,27H,1-14,20H2,(H,21,26)(H,22,25)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153085 (CHEMBL364836 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCNC1=O Show InChI InChI=1S/C20H37N3O4/c1-20(2,3)17-19(26)21-13-11-9-7-5-4-6-8-10-12-16(18(25)22-17)14-23(27)15-24/h15-17,27H,4-14H2,1-3H3,(H,21,26)(H,22,25)/t16-,17-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153083 (CHEMBL441502 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O Show InChI InChI=1S/C19H35N3O4/c1-19(2,3)16-18(25)20-12-10-8-6-4-5-7-9-11-15(17(24)21-16)13-22(26)14-23/h14-16,26H,4-13H2,1-3H3,(H,20,25)(H,21,24)/t15-,16-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153079 (CHEMBL364979 | N-[(3S,6R)-3-(4-Amino-butyl)-2,5-di...) Show SMILES NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O Show InChI InChI=1S/C24H46N4O4/c25-17-13-12-16-22-24(31)26-18-14-10-8-6-4-2-1-3-5-7-9-11-15-21(23(30)27-22)19-28(32)20-29/h20-22,32H,1-19,25H2,(H,26,31)(H,27,30)/t21-,22+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	258	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50186746 ((2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYC...) Show SMILES N[C@@H](CCSC[C@H](O)[C@@H](O)C(=O)NO)C(O)=O Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5-,6+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of cobalt substituted Bacillus subtilis LuxS				J Med Chem 49: 3003-11 (2006) Article DOI: 10.1021/jm060047g BindingDB Entry DOI: 10.7270/Q25X28JQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50186746 ((2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYC...) Show SMILES N[C@@H](CCSC[C@H](O)[C@@H](O)C(=O)NO)C(O)=O Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5-,6+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of ferrous substituted Bacillus subtilis LuxS				J Med Chem 49: 3003-11 (2006) Article DOI: 10.1021/jm060047g BindingDB Entry DOI: 10.7270/Q25X28JQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50304165 (CHEMBL593446 | S-(5-Deoxy-D-xylofuranos-5-yl)-L-ho...) Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1O)C(O)=O |r| Show InChI InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida International University Curated by ChEMBL					Assay Description Inhibition of Bacillus subtilis LuxS assessed as enzyme-inhibitor dissociation constant				Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS
					More data for this Ligand-Target Pair				3D Structure (docked)
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50304168 ((2S)-2-amino-4-(((2S,3S,4S)-3-fluoro-4,5-dihydroxy...) Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1F)C(O)=O |r| Show InChI InChI=1S/C9H16FNO5S/c10-6-5(16-9(15)7(6)12)3-17-2-1-4(11)8(13)14/h4-7,9,12,15H,1-3,11H2,(H,13,14)/t4-,5+,6+,7+,9?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida International University Curated by ChEMBL					Assay Description Inhibition of Bacillus subtilis LuxS assessed as enzyme-inhibitor dissociation constant				Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153084 (CHEMBL361449 | N-(4-{(3R,14S)-14-[(Formyl-hydroxy-...) Show SMILES CC(=O)NCCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O Show InChI InChI=1S/C21H38N4O5/c1-17(27)22-13-10-8-12-19-21(29)23-14-9-6-4-2-3-5-7-11-18(20(28)24-19)15-25(30)16-26/h16,18-19,30H,2-15H2,1H3,(H,22,27)(H,23,29)(H,24,28)/t18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50186747 ((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...) Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of ferrous substituted Bacillus subtilis LuxS				J Med Chem 49: 3003-11 (2006) Article DOI: 10.1021/jm060047g BindingDB Entry DOI: 10.7270/Q25X28JQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50186747 ((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...) Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of cobalt substituted Bacillus subtilis LuxS				J Med Chem 49: 3003-11 (2006) Article DOI: 10.1021/jm060047g BindingDB Entry DOI: 10.7270/Q25X28JQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50304169 ((2S)-2-amino-4-(((2R,3S,4S)-3-bromo-4,5-dihydroxyt...) Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1Br)C(O)=O |r| Show InChI InChI=1S/C9H16BrNO5S/c10-6-5(16-9(15)7(6)12)3-17-2-1-4(11)8(13)14/h4-7,9,12,15H,1-3,11H2,(H,13,14)/t4-,5+,6+,7+,9?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida International University Curated by ChEMBL					Assay Description Inhibition of Bacillus subtilis LuxS assessed as enzyme-inhibitor dissociation constant				Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50153081 (CHEMBL365910 | N-((3S,6R)-3-tert-Butyl-2,5-dioxo-1...) Show SMILES CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCCCCCCNC1=O Show InChI InChI=1S/C24H45N3O4/c1-24(2,3)21-23(30)25-17-15-13-11-9-7-5-4-6-8-10-12-14-16-20(22(29)26-21)18-27(31)19-28/h19-21,31H,4-18H2,1-3H3,(H,25,30)(H,26,29)/t20-,21-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50304166 (CHEMBL593447 | S-(3,5-Dideoxy-3-fluoro-D-xylofuran...) Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@H]1F)C(O)=O |r| Show InChI InChI=1S/C9H16FNO5S/c10-6-5(16-9(15)7(6)12)3-17-2-1-4(11)8(13)14/h4-7,9,12,15H,1-3,11H2,(H,13,14)/t4-,5+,6-,7+,9?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida International University Curated by ChEMBL					Assay Description Inhibition of Bacillus subtilis LuxS assessed as enzyme-inhibitor dissociation constant				Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119679 (2-[(S)-2-(2-{2-[4-(2-Bromo-acetyl)-phenoxy]-acetyl...) Show SMILES OC(=O)CCC(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)COc1ccc(cc1)C(=O)CBr)C(O)=O Show InChI InChI=1S/C22H26BrN3O11/c23-9-16(27)12-1-3-13(4-2-12)37-11-18(29)24-10-17(28)25-14(5-7-19(30)31)21(34)26-15(22(35)36)6-8-20(32)33/h1-4,14-15H,5-11H2,(H,24,29)(H,25,28)(H,26,34)(H,30,31)(H,32,33)(H,35,36)/t14-,15?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Escherichia coli (strain K12))	BDBM50186747 ((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...) Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of cobalt substituted Escherichia coli LuxS				J Med Chem 49: 3003-11 (2006) Article DOI: 10.1021/jm060047g BindingDB Entry DOI: 10.7270/Q25X28JQ
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50304165 (CHEMBL593446 | S-(5-Deoxy-D-xylofuranos-5-yl)-L-ho...) Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1O)C(O)=O |r| Show InChI InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida International University Curated by ChEMBL					Assay Description Inhibition of Bacillus subtilis LuxS				Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS
					More data for this Ligand-Target Pair				3D Structure (docked)
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50304166 (CHEMBL593447 | S-(3,5-Dideoxy-3-fluoro-D-xylofuran...) Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@H]1F)C(O)=O |r| Show InChI InChI=1S/C9H16FNO5S/c10-6-5(16-9(15)7(6)12)3-17-2-1-4(11)8(13)14/h4-7,9,12,15H,1-3,11H2,(H,13,14)/t4-,5+,6-,7+,9?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida International University Curated by ChEMBL					Assay Description Inhibition of Bacillus subtilis LuxS				Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50304169 ((2S)-2-amino-4-(((2R,3S,4S)-3-bromo-4,5-dihydroxyt...) Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1Br)C(O)=O |r| Show InChI InChI=1S/C9H16BrNO5S/c10-6-5(16-9(15)7(6)12)3-17-2-1-4(11)8(13)14/h4-7,9,12,15H,1-3,11H2,(H,13,14)/t4-,5+,6+,7+,9?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida International University Curated by ChEMBL					Assay Description Inhibition of Bacillus subtilis LuxS				Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50304167 (CHEMBL610483 | S-(3,5-Dideoxy-3-fluoro-1-O-methyl-...) Show SMILES COC1O[C@H](CSCC[C@H](N)C(O)=O)[C@H](F)[C@H]1O |r| Show InChI InChI=1S/C10H18FNO5S/c1-16-10-8(13)7(11)6(17-10)4-18-3-2-5(12)9(14)15/h5-8,10,13H,2-4,12H2,1H3,(H,14,15)/t5-,6+,7-,8+,10?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida International University Curated by ChEMBL					Assay Description Inhibition of Bacillus subtilis LuxS assessed as enzyme-inhibitor dissociation constant				Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Vibrio harveyi (strain ATCC BAA-1116 / BB120))	BDBM50186747 ((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...) Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of cobalt substituted Vibrio harveyi LuxS				J Med Chem 49: 3003-11 (2006) Article DOI: 10.1021/jm060047g BindingDB Entry DOI: 10.7270/Q25X28JQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119683 (2-[(S)-2-(2-{[4'-(2-Bromo-acetyl)-biphenyl-2-carbo...) Show SMILES OC(=O)CCC(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)c1ccccc1-c1ccc(cc1)C(=O)CBr)C(O)=O Show InChI InChI=1S/C27H28BrN3O10/c28-13-21(32)16-7-5-15(6-8-16)17-3-1-2-4-18(17)25(38)29-14-22(33)30-19(9-11-23(34)35)26(39)31-20(27(40)41)10-12-24(36)37/h1-8,19-20H,9-14H2,(H,29,38)(H,30,33)(H,31,39)(H,34,35)(H,36,37)(H,40,41)/t19-,20?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50304168 ((2S)-2-amino-4-(((2S,3S,4S)-3-fluoro-4,5-dihydroxy...) Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1F)C(O)=O |r| Show InChI InChI=1S/C9H16FNO5S/c10-6-5(16-9(15)7(6)12)3-17-2-1-4(11)8(13)14/h4-7,9,12,15H,1-3,11H2,(H,13,14)/t4-,5+,6+,7+,9?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida International University Curated by ChEMBL					Assay Description Inhibition of Bacillus subtilis LuxS				Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50186746 ((2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYC...) Show SMILES N[C@@H](CCSC[C@H](O)[C@@H](O)C(=O)NO)C(O)=O Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5-,6+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of zinc substituted Bacillus subtilis LuxS				J Med Chem 49: 3003-11 (2006) Article DOI: 10.1021/jm060047g BindingDB Entry DOI: 10.7270/Q25X28JQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
S-ribosylhomocysteine lyase (Escherichia coli (strain K12))	BDBM50186746 ((2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYC...) Show SMILES N[C@@H](CCSC[C@H](O)[C@@H](O)C(=O)NO)C(O)=O Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5-,6+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of cobalt substituted Escherichia coli LuxS				J Med Chem 49: 3003-11 (2006) Article DOI: 10.1021/jm060047g BindingDB Entry DOI: 10.7270/Q25X28JQ
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Vibrio harveyi (strain ATCC BAA-1116 / BB120))	BDBM50186746 ((2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYC...) Show SMILES N[C@@H](CCSC[C@H](O)[C@@H](O)C(=O)NO)C(O)=O Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5-,6+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of cobalt substituted Vibrio harveyi LuxS				J Med Chem 49: 3003-11 (2006) Article DOI: 10.1021/jm060047g BindingDB Entry DOI: 10.7270/Q25X28JQ
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119685 (2-Bromo-1-(4-trifluoromethyl-phenyl)-ethanone | CH...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)CBr Show InChI InChI=1S/C9H6BrF3O/c10-5-8(14)6-1-3-7(4-2-6)9(11,12)13/h1-4H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM7880 (2-bromo-1-(4-phenylphenyl)ethan-1-one | CHEMBL4130...) Show SMILES BrCC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C14H11BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50186747 ((2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYC...) Show SMILES N[C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)NO)C(O)=O Show InChI InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5+,6+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of zinc substituted Bacillus subtilis LuxS				J Med Chem 49: 3003-11 (2006) Article DOI: 10.1021/jm060047g BindingDB Entry DOI: 10.7270/Q25X28JQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119682 (2-Bromo-1-naphthalen-2-yl-ethanone | CHEMBL101423) Show SMILES BrCC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C12H9BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6 (Homo sapiens (Human))	BDBM50119679 (2-[(S)-2-(2-{2-[4-(2-Bromo-acetyl)-phenoxy]-acetyl...) Show SMILES OC(=O)CCC(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)COc1ccc(cc1)C(=O)CBr)C(O)=O Show InChI InChI=1S/C22H26BrN3O11/c23-9-16(27)12-1-3-13(4-2-12)37-11-18(29)24-10-17(28)25-14(5-7-19(30)31)21(34)26-15(22(35)36)6-8-20(32)33/h1-4,14-15H,5-11H2,(H,24,29)(H,25,28)(H,26,34)(H,30,31)(H,32,33)(H,35,36)/t14-,15?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair
Methionine aminopeptidase 1 (Homo sapiens (Human))	BDBM50137352 ((S)-2-Amino-hexanoic acid hydroxy-[(2-pyridin-2-yl...) Show SMILES CCCC[C@H](N)C(=O)N(O)CC(=O)NCCc1ccccn1 Show InChI InChI=1S/C15H24N4O3/c1-2-3-7-13(16)15(21)19(22)11-14(20)18-10-8-12-6-4-5-9-17-12/h4-6,9,13,22H,2-3,7-8,10-11,16H2,1H3,(H,18,20)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Methionine aminopeptidase 1				Bioorg Med Chem Lett 14: 77-9 (2003) BindingDB Entry DOI: 10.7270/Q2DV1J90
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM50291695 (CHEMBL84822 | H-PHOSPHONATE DERIVATIVE) Show SMILES CCCC[C@H](OP(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H28N3O7P/c1-4-5-6-16(28-29(26)27)18(23)20-15(11-12(2)3)17(22)19-13-7-9-14(10-8-13)21(24)25/h7-10,12,15-16,29H,4-6,11H2,1-3H3,(H,19,22)(H,20,23)(H,26,27)/t15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against Peptide deformylase				Bioorg Med Chem Lett 8: 2479-82 (1999) BindingDB Entry DOI: 10.7270/Q2HX1BTV
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50304164 (CHEMBL611818 | S-(5-Deoxy-3-O-methyl-D-ribofuranos...) Show SMILES CO[C@@H]1[C@@H](CSCCC(N)C(O)=O)OC(O)[C@@H]1O |r| Show InChI InChI=1S/C10H19NO6S/c1-16-8-6(17-10(15)7(8)12)4-18-3-2-5(11)9(13)14/h5-8,10,12,15H,2-4,11H2,1H3,(H,13,14)/t5?,6-,7-,8-,10?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida International University Curated by ChEMBL					Assay Description Inhibition of Bacillus subtilis LuxS				Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS
					More data for this Ligand-Target Pair				3D Structure (docked)
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50304167 (CHEMBL610483 | S-(3,5-Dideoxy-3-fluoro-1-O-methyl-...) Show SMILES COC1O[C@H](CSCC[C@H](N)C(O)=O)[C@H](F)[C@H]1O |r| Show InChI InChI=1S/C10H18FNO5S/c1-16-10-8(13)7(11)6(17-10)4-18-3-2-5(12)9(14)15/h5-8,10,13H,2-4,12H2,1H3,(H,14,15)/t5-,6+,7-,8+,10?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Florida International University Curated by ChEMBL					Assay Description Inhibition of Bacillus subtilis LuxS				Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50119687 (2-Bromo-1-(4-hydroxy-phenyl)-ethanone | CHEMBL1029...) Show SMILES Oc1ccc(cc1)C(=O)CBr Show InChI InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Dissociation constant of the compound towards Protein-tyrosine phosphatase 1B receptor-inhibitor complex was determined using PNP as substrate				Bioorg Med Chem Lett 12: 3047-50 (2002) BindingDB Entry DOI: 10.7270/Q2FT8KCX
					More data for this Ligand-Target Pair

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