Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with Target = 'Yersiniabactin siderophore biosynthetic protein'   

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
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50324670 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H18N6O8S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(31-17)5-30-32(28,29)22-16(27)8-3-1-2-4-9(8)24/h1-4,6-7,10,12-13,17,24-26H,5H2,(H,22,27)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376538 (CHEMBL404731) Show SMILES COc1ccc(NC(=S)N2N=C(C[C@H]2c2ccccc2O)c2ccccc2O)cc1 |c:10| Show InChI InChI=1S/C23H21N3O3S/c1-29-16-12-10-15(11-13-16)24-23(30)26-20(18-7-3-5-9-22(18)28)14-19(25-26)17-6-2-4-8-21(17)27/h2-13,20,27-28H,14H2,1H3,(H,24,30)/t20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376521 (CHEMBL258440) Show SMILES COc1cc(ccc1O)[C@@H]1CC(=NN1C(=S)Nc1ccccc1OC)c1ccc(O)cc1O |c:12| Show InChI InChI=1S/C24H23N3O5S/c1-31-22-6-4-3-5-17(22)25-24(33)27-19(14-7-10-20(29)23(11-14)32-2)13-18(26-27)16-9-8-15(28)12-21(16)30/h3-12,19,28-30H,13H2,1-2H3,(H,25,33)/t19-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376530 (CHEMBL255008) Show SMILES COc1cc(ccc1O)[C@@H]1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O |c:12| Show InChI InChI=1S/C23H21N3O3S/c1-29-22-13-15(11-12-21(22)28)19-14-18(17-9-5-6-10-20(17)27)25-26(19)23(30)24-16-7-3-2-4-8-16/h2-13,19,27-28H,14H2,1H3,(H,24,30)/t19-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376534 (CHEMBL444374) Show SMILES COc1ccccc1NC(=S)N1N=C(C[C@H]1c1ccc(O)cc1)c1ccccc1O |c:13| Show InChI InChI=1S/C23H21N3O3S/c1-29-22-9-5-3-7-18(22)24-23(30)26-20(15-10-12-16(27)13-11-15)14-19(25-26)17-6-2-4-8-21(17)28/h2-13,20,27-28H,14H2,1H3,(H,24,30)/t20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376541 (CHEMBL257574) Show SMILES Oc1ccccc1C1=NN([C@@H](C1)c1ccco1)C(=S)Nc1ccccc1 |t:8| Show InChI InChI=1S/C20H17N3O2S/c24-18-10-5-4-9-15(18)16-13-17(19-11-6-12-25-19)23(22-16)20(26)21-14-7-2-1-3-8-14/h1-12,17,24H,13H2,(H,21,26)/t17-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376535 (CHEMBL402834) Show SMILES Oc1ccc(cc1)[C@@H]1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O |c:10| Show InChI InChI=1S/C22H19N3O2S/c26-17-12-10-15(11-13-17)20-14-19(18-8-4-5-9-21(18)27)24-25(20)22(28)23-16-6-2-1-3-7-16/h1-13,20,26-27H,14H2,(H,23,28)/t20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376531 (CHEMBL255435) Show SMILES Cc1ccc(NC(=S)N2N=C(C[C@H]2c2ccc(O)cc2)c2ccccc2O)cc1 |c:9| Show InChI InChI=1S/C23H21N3O2S/c1-15-6-10-17(11-7-15)24-23(29)26-21(16-8-12-18(27)13-9-16)14-20(25-26)19-4-2-3-5-22(19)28/h2-13,21,27-28H,14H2,1H3,(H,24,29)/t21-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376516 (CHEMBL256545) Show SMILES Oc1ccccc1C1=NN([C@@H](C1)c1ccccc1)C(=S)Nc1ccccc1 |t:8| Show InChI InChI=1S/C22H19N3OS/c26-21-14-8-7-13-18(21)19-15-20(16-9-3-1-4-10-16)25(24-19)22(27)23-17-11-5-2-6-12-17/h1-14,20,26H,15H2,(H,23,27)/t20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376526 (CHEMBL404041) Show SMILES COc1cc(ccc1O)[C@@H]1CC(=NN1C(=S)Nc1ccc(C)cc1)c1ccccc1O |c:12| Show InChI InChI=1S/C24H23N3O3S/c1-15-7-10-17(11-8-15)25-24(31)27-20(16-9-12-22(29)23(13-16)30-2)14-19(26-27)18-5-3-4-6-21(18)28/h3-13,20,28-29H,14H2,1-2H3,(H,25,31)/t20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376547 (CHEMBL256541) Show SMILES NC(=S)N1N=C(C[C@H]1c1ccc(O)cc1)c1ccccc1O |c:4| Show InChI InChI=1S/C16H15N3O2S/c17-16(22)19-14(10-5-7-11(20)8-6-10)9-13(18-19)12-3-1-2-4-15(12)21/h1-8,14,20-21H,9H2,(H2,17,22)/t14-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376536 (CHEMBL256080) Show SMILES Cc1ccc(NC(=S)N2N=C(C[C@H]2c2ccccc2O)c2ccccc2O)cc1 |c:9| Show InChI InChI=1S/C23H21N3O2S/c1-15-10-12-16(13-11-15)24-23(29)26-20(18-7-3-5-9-22(18)28)14-19(25-26)17-6-2-4-8-21(17)27/h2-13,20,27-28H,14H2,1H3,(H,24,29)/t20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376528 (CHEMBL402040) Show SMILES COc1ccc(NC(=S)N2N=C(C[C@H]2c2ccc(O)c(OC)c2)c2ccccc2O)cc1 |c:10| Show InChI InChI=1S/C24H23N3O4S/c1-30-17-10-8-16(9-11-17)25-24(32)27-20(15-7-12-22(29)23(13-15)31-2)14-19(26-27)18-5-3-4-6-21(18)28/h3-13,20,28-29H,14H2,1-2H3,(H,25,32)/t20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376524 (CHEMBL257397) Show SMILES COc1ccccc1NC(=S)N1N=C(C[C@H]1c1ccc(O)cc1)c1ccc(O)cc1O |c:13| Show InChI InChI=1S/C23H21N3O4S/c1-30-22-5-3-2-4-18(22)24-23(31)26-20(14-6-8-15(27)9-7-14)13-19(25-26)17-11-10-16(28)12-21(17)29/h2-12,20,27-29H,13H2,1H3,(H,24,31)/t20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376540 (CHEMBL256351) Show SMILES Oc1ccccc1[C@@H]1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O |c:10| Show InChI InChI=1S/C22H19N3O2S/c26-20-12-6-4-10-16(20)18-14-19(17-11-5-7-13-21(17)27)25(24-18)22(28)23-15-8-2-1-3-9-15/h1-13,19,26-27H,14H2,(H,23,28)/t19-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376522 (CHEMBL255241) Show SMILES COc1cc(ccc1O)[C@@H]1CC(=NN1C(=S)Nc1ccccc1)c1ccc(O)cc1O |c:12| Show InChI InChI=1S/C23H21N3O4S/c1-30-22-11-14(7-10-20(22)28)19-13-18(17-9-8-16(27)12-21(17)29)25-26(19)23(31)24-15-5-3-2-4-6-15/h2-12,19,27-29H,13H2,1H3,(H,24,31)/t19-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376532 (CHEMBL255234) Show SMILES Cc1ccccc1NC(=S)N1N=C(C[C@H]1c1ccc(O)cc1)c1ccccc1O |c:12| Show InChI InChI=1S/C23H21N3O2S/c1-15-6-2-4-8-19(15)24-23(29)26-21(16-10-12-17(27)13-11-16)14-20(25-26)18-7-3-5-9-22(18)28/h2-13,21,27-28H,14H2,1H3,(H,24,29)/t21-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376545 (CHEMBL255894) Show SMILES Oc1ccccc1C1=NN([C@@H](C1)c1ccc(Cl)cc1)C(=S)Nc1ccccc1 |t:8| Show InChI InChI=1S/C22H18ClN3OS/c23-16-12-10-15(11-13-16)20-14-19(18-8-4-5-9-21(18)27)25-26(20)22(28)24-17-6-2-1-3-7-17/h1-13,20,27H,14H2,(H,24,28)/t20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376529 (CHEMBL403142) Show SMILES COc1cc(ccc1O)[C@@H]1CC(=NN1C(=S)Nc1ccccc1OC)c1ccccc1O |c:12| Show InChI InChI=1S/C24H23N3O4S/c1-30-22-10-6-4-8-17(22)25-24(32)27-19(15-11-12-21(29)23(13-15)31-2)14-18(26-27)16-7-3-5-9-20(16)28/h3-13,19,28-29H,14H2,1-2H3,(H,25,32)/t19-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376539 (CHEMBL402821) Show SMILES COc1ccccc1NC(=S)N1N=C(C[C@H]1c1ccccc1O)c1ccccc1O |c:13| Show InChI InChI=1S/C23H21N3O3S/c1-29-22-13-7-4-10-17(22)24-23(30)26-19(16-9-3-6-12-21(16)28)14-18(25-26)15-8-2-5-11-20(15)27/h2-13,19,27-28H,14H2,1H3,(H,24,30)/t19-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376537 (CHEMBL256079) Show SMILES Cc1ccccc1NC(=S)N1N=C(C[C@H]1c1ccccc1O)c1ccccc1O |c:12| Show InChI InChI=1S/C23H21N3O2S/c1-15-8-2-5-11-18(15)24-23(29)26-20(17-10-4-7-13-22(17)28)14-19(25-26)16-9-3-6-12-21(16)27/h2-13,20,27-28H,14H2,1H3,(H,24,29)/t20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376527 (CHEMBL256309) Show SMILES COc1cc(ccc1O)[C@@H]1CC(=NN1C(=S)Nc1ccccc1C)c1ccccc1O |c:12| Show InChI InChI=1S/C24H23N3O3S/c1-15-7-3-5-9-18(15)25-24(31)27-20(16-11-12-22(29)23(13-16)30-2)14-19(26-27)17-8-4-6-10-21(17)28/h3-13,20,28-29H,14H2,1-2H3,(H,25,31)/t20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376525 (CHEMBL257608) Show SMILES Oc1ccc(cc1)[C@@H]1CC(=NN1C(=S)Nc1ccccc1)c1ccc(O)cc1O |c:10| Show InChI InChI=1S/C22H19N3O3S/c26-16-8-6-14(7-9-16)20-13-19(18-11-10-17(27)12-21(18)28)24-25(20)22(29)23-15-4-2-1-3-5-15/h1-12,20,26-28H,13H2,(H,23,29)/t20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376520 (CHEMBL256128) Show SMILES COc1ccc(NC(=S)N2N=C(C[C@H]2c2ccc(O)c(OC)c2)c2ccc(O)cc2O)cc1 |c:10| Show InChI InChI=1S/C24H23N3O5S/c1-31-17-7-4-15(5-8-17)25-24(33)27-20(14-3-10-21(29)23(11-14)32-2)13-19(26-27)18-9-6-16(28)12-22(18)30/h3-12,20,28-30H,13H2,1-2H3,(H,25,33)/t20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376543 (CHEMBL258034) Show SMILES COc1ccc(cc1)[C@@H]1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O |c:11| Show InChI InChI=1S/C23H21N3O2S/c1-28-18-13-11-16(12-14-18)21-15-20(19-9-5-6-10-22(19)27)25-26(21)23(29)24-17-7-3-2-4-8-17/h2-14,21,27H,15H2,1H3,(H,24,29)/t21-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376542 (CHEMBL257780) Show SMILES Oc1ccccc1C1=NN([C@@H](C1)c1cccs1)C(=S)Nc1ccccc1 |t:8| Show InChI InChI=1S/C20H17N3OS2/c24-18-10-5-4-9-15(18)16-13-17(19-11-6-12-26-19)23(22-16)20(25)21-14-7-2-1-3-8-14/h1-12,17,24H,13H2,(H,21,25)/t17-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376546 (CHEMBL403164) Show SMILES Oc1ccccc1C1=NN([C@@H](C1)c1ccccc1Cl)C(=S)Nc1ccccc1 |t:8| Show InChI InChI=1S/C22H18ClN3OS/c23-18-12-6-4-10-16(18)20-14-19(17-11-5-7-13-21(17)27)25-26(20)22(28)24-15-8-2-1-3-9-15/h1-13,20,27H,14H2,(H,24,28)/t20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376544 (CHEMBL403496) Show SMILES COc1ccccc1[C@@H]1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1O |c:11| Show InChI InChI=1S/C23H21N3O2S/c1-28-22-14-8-6-12-18(22)20-15-19(17-11-5-7-13-21(17)27)25-26(20)23(29)24-16-9-3-2-4-10-16/h2-14,20,27H,15H2,1H3,(H,24,29)/t20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376533 (CHEMBL427902) Show SMILES COc1ccc(NC(=S)N2N=C(C[C@H]2c2ccc(O)cc2)c2ccccc2O)cc1 |c:10| Show InChI InChI=1S/C23H21N3O3S/c1-29-18-12-8-16(9-13-18)24-23(30)26-21(15-6-10-17(27)11-7-15)14-20(25-26)19-4-2-3-5-22(19)28/h2-13,21,27-28H,14H2,1H3,(H,24,30)/t21-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376517 (CHEMBL402966) Show SMILES Oc1ccc(cc1)[C@@H]1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1 |c:10| Show InChI InChI=1S/C22H19N3OS/c26-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)24-25(21)22(27)23-18-9-5-2-6-10-18/h1-14,21,26H,15H2,(H,23,27)/t21-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376519 (CHEMBL258378) Show SMILES Oc1ccc(cc1)[C@@H]1CC(=NN1C(=S)Nc1ccccc1)c1ccc(O)cc1 |c:10| Show InChI InChI=1S/C22H19N3O2S/c26-18-10-6-15(7-11-18)20-14-21(16-8-12-19(27)13-9-16)25(24-20)22(28)23-17-4-2-1-3-5-17/h1-13,21,26-27H,14H2,(H,23,28)/t21-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376518 (CHEMBL258166) Show SMILES Oc1ccccc1[C@@H]1CC(=NN1C(=S)Nc1ccccc1)c1ccccc1 |c:10| Show InChI InChI=1S/C22H19N3OS/c26-21-14-8-7-13-18(21)20-15-19(16-9-3-1-4-10-16)24-25(20)22(27)23-17-11-5-2-6-12-17/h1-14,20,26H,15H2,(H,23,27)/t20-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376523 (CHEMBL404040) Show SMILES COc1ccc(NC(=S)N2N=C(C[C@H]2c2ccc(O)cc2)c2ccc(O)cc2O)cc1 |c:10| Show InChI InChI=1S/C23H21N3O4S/c1-30-18-9-4-15(5-10-18)24-23(31)26-21(14-2-6-16(27)7-3-14)13-20(25-26)19-11-8-17(28)12-22(19)29/h2-12,21,27-29H,13H2,1H3,(H,24,31)/t21-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair