Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'bell' and Initial = 'ce'   

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
Androgen receptor (Rattus norvegicus (Rat))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.270	-50.8	n/a	n/a	n/a	n/a	n/a	7.4	4
The Ohio State University					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				Bioorg Med Chem Lett 18: 5567-70 (2008) Article DOI: 10.1016/j.bmcl.2008.09.002 BindingDB Entry DOI: 10.7270/Q2W0948B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM26260 ((2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2...) Show SMILES C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(I)c1 |r| Show InChI InChI=1S/C18H14IN3O3/c1-18(24,11-25-15-6-2-12(9-20)3-7-15)17(23)22-14-5-4-13(10-21)16(19)8-14/h2-8,24H,11H2,1H3,(H,22,23)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	0.540	-49.2	n/a	n/a	n/a	n/a	n/a	7.4	4
The Ohio State University					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				Bioorg Med Chem Lett 18: 5567-70 (2008) Article DOI: 10.1016/j.bmcl.2008.09.002 BindingDB Entry DOI: 10.7270/Q2W0948B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM26262 ((2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromet...) Show SMILES C[C@](O)(COc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C17H10F8N2O5/c1-16(29,5-32-14-12(21)10(19)9(18)11(20)13(14)22)15(28)26-6-2-3-8(27(30)31)7(4-6)17(23,24)25/h2-4,29H,5H2,1H3,(H,26,28)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.40	-47.0	n/a	n/a	n/a	n/a	n/a	7.4	4
The Ohio State University					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				Bioorg Med Chem Lett 18: 5567-70 (2008) Article DOI: 10.1016/j.bmcl.2008.09.002 BindingDB Entry DOI: 10.7270/Q2W0948B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM26261 ((2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(tr...) Show SMILES C[C@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H13ClF4N2O3/c1-17(27,9-28-12-4-5-14(19)15(20)7-12)16(26)25-11-3-2-10(8-24)13(6-11)18(21,22)23/h2-7,27H,9H2,1H3,(H,25,26)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.70	-46.5	n/a	n/a	n/a	n/a	n/a	7.4	4
The Ohio State University					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				Bioorg Med Chem Lett 18: 5567-70 (2008) Article DOI: 10.1016/j.bmcl.2008.09.002 BindingDB Entry DOI: 10.7270/Q2W0948B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM26259 ((2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydro...) Show SMILES C[C@](O)(COc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H14F3N3O5/c1-17(26,10-29-14-6-4-13(5-7-14)24(27)28)16(25)23-12-3-2-11(9-22)15(8-12)18(19,20)21/h2-8,26H,10H2,1H3,(H,23,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	2.5	-45.6	n/a	n/a	n/a	n/a	n/a	7.4	4
The Ohio State University					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				Bioorg Med Chem Lett 18: 5567-70 (2008) Article DOI: 10.1016/j.bmcl.2008.09.002 BindingDB Entry DOI: 10.7270/Q2W0948B
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18665 ((2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[...) Show SMILES CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	4	-44.6	n/a	n/a	n/a	n/a	n/a	7.4	4
The Ohio State University					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				Bioorg Med Chem Lett 18: 5567-70 (2008) Article DOI: 10.1016/j.bmcl.2008.09.002 BindingDB Entry DOI: 10.7270/Q2W0948B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM18663 ((2S)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-n...) Show SMILES C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r| Show InChI InChI=1S/C17H14F4N2O5/c1-16(25,9-28-12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	6.10	-43.6	n/a	n/a	n/a	n/a	n/a	7.4	4
The Ohio State University					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				Bioorg Med Chem Lett 18: 5567-70 (2008) Article DOI: 10.1016/j.bmcl.2008.09.002 BindingDB Entry DOI: 10.7270/Q2W0948B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM18678 ((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	11	-42.2	n/a	n/a	n/a	n/a	n/a	7.4	4
The Ohio State University					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				Bioorg Med Chem Lett 18: 5567-70 (2008) Article DOI: 10.1016/j.bmcl.2008.09.002 BindingDB Entry DOI: 10.7270/Q2W0948B
					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	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)	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 (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 (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
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
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)
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50142500 ((2S)-2-amino-4-(methylsulfanyl)butanoic acid | (S)...) Show SMILES CSCC[C@H](N)C(O)=O |r| Show InChI InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.10E+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 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
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50186742 ((2S)-2-amino-6-(N-formyl-N-hydroxylamino)hexanoic ...) Show SMILES N[C@@H](CCCCN(O)C=O)C(O)=O Show InChI InChI=1S/C7H14N2O4/c8-6(7(11)12)3-1-2-4-9(13)5-10/h5-6,13H,1-4,8H2,(H,11,12)/t6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.80E+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 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
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50186743 (CHEMBL383729 | S-ribosylcysteine) Show SMILES N[C@H](CSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O Show InChI InChI=1S/C8H15NO6S/c9-3(7(12)13)1-16-2-4-5(10)6(11)8(14)15-4/h3-6,8,10-11,14H,1-2,9H2,(H,12,13)/t3-,4-,5-,6-,8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.00E+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 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
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50186748 ((S)-2-amino-6-(2-mercaptoacetamido)hexanoic acid |...) Show SMILES N[C@@H](CCCCNC(=O)CS)C(O)=O Show InChI InChI=1S/C8H16N2O3S/c9-6(8(12)13)3-1-2-4-10-7(11)5-14/h6,14H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	1.32E+5	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
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50148771 ((2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE | (2R,4R)-2...) Show SMILES OC[C@@H](O)[C@@H](O)C(=O)NO Show InChI InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	1.47E+5	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
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50186744 ((S)-2-amino-6-(3-mercaptopropanamido)hexanoic acid...) Show SMILES N[C@@H](CCCCNC(=O)CCS)C(O)=O Show InChI InChI=1S/C9H18N2O3S/c10-7(9(13)14)3-1-2-5-11-8(12)4-6-15/h7,15H,1-6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	1.55E+5	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
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50148771 ((2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE | (2R,4R)-2...) Show SMILES OC[C@@H](O)[C@@H](O)C(=O)NO Show InChI InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	1.56E+5	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
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50186745 ((S)-2-amino-6-(4-mercaptobutanamido)hexanoic acid ...) Show SMILES N[C@@H](CCCCNC(=O)CCCS)C(O)=O Show InChI InChI=1S/C10H20N2O3S/c11-8(10(14)15)4-1-2-6-12-9(13)5-3-7-16/h8,16H,1-7,11H2,(H,12,13)(H,14,15)/t8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	4.73E+5	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
S-ribosylhomocysteine lyase (Vibrio harveyi (strain ATCC BAA-1116 / BB120))	BDBM50148771 ((2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE | (2R,4R)-2...) Show SMILES OC[C@@H](O)[C@@H](O)C(=O)NO Show InChI InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	5.50E+5	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
S-ribosylhomocysteine lyase (Escherichia coli (strain K12))	BDBM50148771 ((2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE | (2R,4R)-2...) Show SMILES OC[C@@H](O)[C@@H](O)C(=O)NO Show InChI InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	7.20E+5	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)	BDBM50148771 ((2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE | (2R,4R)-2...) Show SMILES OC[C@@H](O)[C@@H](O)C(=O)NO Show InChI InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	2.40E+6	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