Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'coenye' and Initial = 't'   

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
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50380000 (CHEMBL258981) Show SMILES CN(O)C(=O)CCCP(O)(O)=O Show InChI InChI=1S/C5H12NO5P/c1-6(8)5(7)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assesse...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50081647 (CHEMBL3422252) Show SMILES CC(CC(=O)N(C)O)CP(O)(O)=O Show InChI InChI=1S/C6H14NO5P/c1-5(4-13(10,11)12)3-6(8)7(2)9/h5,9H,3-4H2,1-2H3,(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assesse...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50153713 (3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...) Show SMILES ON(CCCP(O)(O)=O)C=O Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	438	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assessed as NADPH...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50081649 (CHEMBL3422255) Show SMILES [Na+].CN(O)C(=O)CC(CCCc1ccccc1)CP(O)([O-])=O Show InChI InChI=1S/C14H22NO5P/c1-15(17)14(16)10-13(11-21(18,19)20)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13,17H,5,8-11H2,1H3,(H2,18,19,20)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	843	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assesse...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50380000 (CHEMBL258981) Show SMILES CN(O)C(=O)CCCP(O)(O)=O Show InChI InChI=1S/C5H12NO5P/c1-6(8)5(7)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assessed as NADPH...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50081650 (CHEMBL3422256) Show SMILES [Na+].CN(O)C(=O)CC(CCCCc1ccccc1)CP(O)([O-])=O Show InChI InChI=1S/C15H24NO5P.Na/c1-16(18)15(17)11-14(12-22(19,20)21)10-6-5-9-13-7-3-2-4-8-13;/h2-4,7-8,14,18H,5-6,9-12H2,1H3,(H2,19,20,21);/q;+1/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assesse...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50081647 (CHEMBL3422252) Show SMILES CC(CC(=O)N(C)O)CP(O)(O)=O Show InChI InChI=1S/C6H14NO5P/c1-5(4-13(10,11)12)3-6(8)7(2)9/h5,9H,3-4H2,1-2H3,(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assessed as NADPH...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50081649 (CHEMBL3422255) Show SMILES [Na+].CN(O)C(=O)CC(CCCc1ccccc1)CP(O)([O-])=O Show InChI InChI=1S/C14H22NO5P/c1-15(17)14(16)10-13(11-21(18,19)20)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13,17H,5,8-11H2,1H3,(H2,18,19,20)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assessed as NADPH...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50081648 (CHEMBL3422254) Show SMILES [Na+].CN(O)C(=O)CC(CCc1ccccc1)CP(O)([O-])=O Show InChI InChI=1S/C13H20NO5P/c1-14(16)13(15)9-12(10-20(17,18)19)8-7-11-5-3-2-4-6-11/h2-6,12,16H,7-10H2,1H3,(H2,17,18,19)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assesse...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50081650 (CHEMBL3422256) Show SMILES [Na+].CN(O)C(=O)CC(CCCCc1ccccc1)CP(O)([O-])=O Show InChI InChI=1S/C15H24NO5P.Na/c1-16(18)15(17)11-14(12-22(19,20)21)10-6-5-9-13-7-3-2-4-8-13;/h2-4,7-8,14,18H,5-6,9-12H2,1H3,(H2,19,20,21);/q;+1/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.73E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assessed as NADPH...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair
Transcriptional activator protein LuxR (Vibrio fischeri)	BDBM50389271 (CHEMBL2063568) Show SMILES CCCCCCCCc1cn(nn1)C1CCOC1=O Show InChI InChI=1S/C14H23N3O2/c1-2-3-4-5-6-7-8-12-11-17(16-15-12)13-9-10-19-14(13)18/h11,13H,2-10H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Antagonist activity at Vibrio fischeri LuxR-mediated quorum sensing expressed in Escherichia coli JB523 assessed as inhibition of C6-HSL-induced GFP ...				Bioorg Med Chem 20: 4737-43 (2012) Article DOI: 10.1016/j.bmc.2012.06.009 BindingDB Entry DOI: 10.7270/Q2P84D02
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259996 (CHEMBL4085383) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2)OC[C@@]1(O)CNC(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C20H21ClN2O5/c21-15-9-5-4-8-14(15)19(26)23-11-20(27)12-28-16(17(20)24)10-22-18(25)13-6-2-1-3-7-13/h1-9,16-17,24,27H,10-12H2,(H,22,25)(H,23,26)/t16-,17-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.58E+3	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260006 (CHEMBL4078565) Show SMILES O[C@@H]1[C@@H](CN2C(=O)c3ccccc3C2=O)OC[C@@]1(O)CNC(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C21H19ClN2O6/c22-15-8-4-3-7-14(15)18(26)23-10-21(29)11-30-16(17(21)25)9-24-19(27)12-5-1-2-6-13(12)20(24)28/h1-8,16-17,25,29H,9-11H2,(H,23,26)/t16-,17-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260007 (CHEMBL4102095) Show SMILES O[C@@H]1[C@@H](CN2C(=O)c3ccccc3C2=O)OC[C@@]1(O)CNC(=O)c1ccnnc1 |r| Show InChI InChI=1S/C19H18N4O6/c24-15-14(8-23-17(26)12-3-1-2-4-13(12)18(23)27)29-10-19(15,28)9-20-16(25)11-5-6-21-22-7-11/h1-7,14-15,24,28H,8-10H2,(H,20,25)/t14-,15-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.85E+3	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259999 (CHEMBL4072992) Show SMILES Cc1ccc(cc1)C(=O)NC[C@]1(O)CO[C@H](CNC(=O)c2ccccc2Cl)[C@H]1O |r| Show InChI InChI=1S/C21H23ClN2O5/c1-13-6-8-14(9-7-13)19(26)24-11-21(28)12-29-17(18(21)25)10-23-20(27)15-4-2-3-5-16(15)22/h2-9,17-18,25,28H,10-12H2,1H3,(H,23,27)(H,24,26)/t17-,18-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.19E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260001 (CHEMBL4076813) Show SMILES CC(=O)NC[C@]1(O)CO[C@H](CNC(=O)c2ccccc2Cl)[C@H]1O |r| Show InChI InChI=1S/C15H19ClN2O5/c1-9(19)18-7-15(22)8-23-12(13(15)20)6-17-14(21)10-4-2-3-5-11(10)16/h2-5,12-13,20,22H,6-8H2,1H3,(H,17,21)(H,18,19)/t12-,13-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260002 (CHEMBL4096484) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2Cl)OC[C@@]1(O)CNCc1ccccc1 |r| Show InChI InChI=1S/C20H23ClN2O4/c21-16-9-5-4-8-15(16)19(25)23-11-17-18(24)20(26,13-27-17)12-22-10-14-6-2-1-3-7-14/h1-9,17-18,22,24,26H,10-13H2,(H,23,25)/t17-,18-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.42E+3	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Fucose-binding lectin PA-IIL (Pseudomonas aeruginosa)	BDBM50580212 (CHEMBL5083990) Show SMILES C[C@@H]1O[C@@H](OCCOCCn2cc(COCC(COCc3cn(CCOCCO[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)nn3)N=[N+]=[N-])nn2)[C@@H](O)[C@H](O)[C@@H]1O.OC[C@H]1O[C@@H](OCc2cn(CCCOc3cc4Cc5cc(OCCn6cc(CO[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)nn6)c(Cc6cc(OCCn7cc(CO[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)nn7)c(Cc7cc(OCCn8cc(CO[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)nn8)c(Cc8cc(OCCn9cc(CO[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)nn9)c(Cc3cc4OCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc8OCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc7OCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc6OCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc5OCCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)nn2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	474	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant Pseudomonas aeruginosa lecB expressed in Escherichia coli assessed as dissociation constant by isothermal titration c...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01241 BindingDB Entry DOI: 10.7270/Q21N850K
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260000 (CHEMBL4092720) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2Cl)OC[C@@]1(O)CNC(=O)c1ccoc1 |r| Show InChI InChI=1S/C18H19ClN2O6/c19-13-4-2-1-3-12(13)17(24)20-7-14-15(22)18(25,10-27-14)9-21-16(23)11-5-6-26-8-11/h1-6,8,14-15,22,25H,7,9-10H2,(H,20,24)(H,21,23)/t14-,15-,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.67E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260005 (CHEMBL4104220) Show SMILES Cn1nccc1C(=O)NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O |r| Show InChI InChI=1S/C18H22N4O5/c1-22-13(7-8-21-22)17(25)19-9-14-15(23)18(26,11-27-14)10-20-16(24)12-5-3-2-4-6-12/h2-8,14-15,23,26H,9-11H2,1H3,(H,19,25)(H,20,24)/t14-,15-,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.35E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259990 (CHEMBL4103314) Show SMILES Cn1cncc1C(=O)NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O |r| Show InChI InChI=1S/C18H22N4O5/c1-22-11-19-7-13(22)17(25)20-8-14-15(23)18(26,10-27-14)9-21-16(24)12-5-3-2-4-6-12/h2-7,11,14-15,23,26H,8-10H2,1H3,(H,20,25)(H,21,24)/t14-,15-,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.82E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260008 (CHEMBL4077031) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2Cl)OC[C@@]1(O)CN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C21H19ClN2O6/c22-15-8-4-3-7-14(15)18(26)23-9-16-17(25)21(29,11-30-16)10-24-19(27)12-5-1-2-6-13(12)20(24)28/h1-8,16-17,25,29H,9-11H2,(H,23,26)/t16-,17-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260000 (CHEMBL4092720) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2Cl)OC[C@@]1(O)CNC(=O)c1ccoc1 |r| Show InChI InChI=1S/C18H19ClN2O6/c19-13-4-2-1-3-12(13)17(24)20-7-14-15(22)18(25,10-27-14)9-21-16(23)11-5-6-26-8-11/h1-6,8,14-15,22,25H,7,9-10H2,(H,20,24)(H,21,23)/t14-,15-,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.85E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259997 (CHEMBL4075326) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccc(cc2)-c2ccccc2)OC[C@@]1(O)CN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C27H24N2O6/c30-23-22(14-28-24(31)19-12-10-18(11-13-19)17-6-2-1-3-7-17)35-16-27(23,34)15-29-25(32)20-8-4-5-9-21(20)26(29)33/h1-13,22-23,30,34H,14-16H2,(H,28,31)/t22-,23-,27+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260008 (CHEMBL4077031) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2Cl)OC[C@@]1(O)CN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C21H19ClN2O6/c22-15-8-4-3-7-14(15)18(26)23-9-16-17(25)21(29,11-30-16)10-24-19(27)12-5-1-2-6-13(12)20(24)28/h1-8,16-17,25,29H,9-11H2,(H,23,26)/t16-,17-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259989 (CHEMBL4087861) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccncc2Cl)OC[C@@]1(O)CNC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H20ClN3O5/c20-14-8-21-7-6-13(14)18(26)22-9-15-16(24)19(27,11-28-15)10-23-17(25)12-4-2-1-3-5-12/h1-8,15-16,24,27H,9-11H2,(H,22,26)(H,23,25)/t15-,16-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.32E+5	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260001 (CHEMBL4076813) Show SMILES CC(=O)NC[C@]1(O)CO[C@H](CNC(=O)c2ccccc2Cl)[C@H]1O |r| Show InChI InChI=1S/C15H19ClN2O5/c1-9(19)18-7-15(22)8-23-12(13(15)20)6-17-14(21)10-4-2-3-5-11(10)16/h2-5,12-13,20,22H,6-8H2,1H3,(H,17,21)(H,18,19)/t12-,13-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259999 (CHEMBL4072992) Show SMILES Cc1ccc(cc1)C(=O)NC[C@]1(O)CO[C@H](CNC(=O)c2ccccc2Cl)[C@H]1O |r| Show InChI InChI=1S/C21H23ClN2O5/c1-13-6-8-14(9-7-13)19(26)24-11-21(28)12-29-17(18(21)25)10-23-20(27)15-4-2-3-5-16(15)22/h2-9,17-18,25,28H,10-12H2,1H3,(H,23,27)(H,24,26)/t17-,18-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.97E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259992 (Hamamelitannin) Show SMILES OC1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@]1(O)COC(=O)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2/t13-,16-,19?,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.46E+5	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260005 (CHEMBL4104220) Show SMILES Cn1nccc1C(=O)NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O |r| Show InChI InChI=1S/C18H22N4O5/c1-22-13(7-8-21-22)17(25)19-9-14-15(23)18(26,11-27-14)10-20-16(24)12-5-3-2-4-6-12/h2-8,14-15,23,26H,9-11H2,1H3,(H,19,25)(H,20,24)/t14-,15-,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.93E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260007 (CHEMBL4102095) Show SMILES O[C@@H]1[C@@H](CN2C(=O)c3ccccc3C2=O)OC[C@@]1(O)CNC(=O)c1ccnnc1 |r| Show InChI InChI=1S/C19H18N4O6/c24-15-14(8-23-17(26)12-3-1-2-4-13(12)18(23)27)29-10-19(15,28)9-20-16(25)11-5-6-21-22-7-11/h1-7,14-15,24,28H,8-10H2,(H,20,25)/t14-,15-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259991 (CHEMBL4082997) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccnnc2)OC[C@@]1(O)CNC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C24H24N4O5/c29-21-20(13-25-23(31)19-10-11-27-28-12-19)33-15-24(21,32)14-26-22(30)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-12,20-21,29,32H,13-15H2,(H,25,31)(H,26,30)/t20-,21-,24+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.54E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259995 (CHEMBL4066540) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2cccnc2Cl)OC[C@@]1(O)CNC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H20ClN3O5/c20-16-13(7-4-8-21-16)18(26)22-9-14-15(24)19(27,11-28-14)10-23-17(25)12-5-2-1-3-6-12/h1-8,14-15,24,27H,9-11H2,(H,22,26)(H,23,25)/t14-,15-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259990 (CHEMBL4103314) Show SMILES Cn1cncc1C(=O)NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2)[C@@H]1O |r| Show InChI InChI=1S/C18H22N4O5/c1-22-11-19-7-13(22)17(25)20-8-14-15(23)18(26,10-27-14)9-21-16(24)12-5-3-2-4-6-12/h2-7,11,14-15,23,26H,8-10H2,1H3,(H,20,25)(H,21,24)/t14-,15-,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.67E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260003 (CHEMBL4088791) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2Cl)OC[C@@]1(O)CN=[N+]=[N-] |r| Show InChI InChI=1S/C13H15ClN4O4/c14-9-4-2-1-3-8(9)12(20)16-5-10-11(19)13(21,7-22-10)6-17-18-15/h1-4,10-11,19,21H,5-7H2,(H,16,20)/t10-,11-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259994 (CHEMBL4060563) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2Cl)OC[C@@]1(O)CN1Cc2ccccc2C1=O |r| Show InChI InChI=1S/C21H21ClN2O5/c22-16-8-4-3-7-15(16)19(26)23-9-17-18(25)21(28,12-29-17)11-24-10-13-5-1-2-6-14(13)20(24)27/h1-8,17-18,25,28H,9-12H2,(H,23,26)/t17-,18-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259996 (CHEMBL4085383) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2)OC[C@@]1(O)CNC(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C20H21ClN2O5/c21-15-9-5-4-8-14(15)19(26)23-11-20(27)12-28-16(17(20)24)10-22-18(25)13-6-2-1-3-7-13/h1-9,16-17,24,27H,10-12H2,(H,22,25)(H,23,26)/t16-,17-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259998 (CHEMBL4077423) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2Cl)OC[C@@]1(O)CNC(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H21ClN2O5/c21-15-9-5-4-8-14(15)19(26)22-10-16-17(24)20(27,12-28-16)11-23-18(25)13-6-2-1-3-7-13/h1-9,16-17,24,27H,10-12H2,(H,22,26)(H,23,25)/t16-,17-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.98E+3	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259987 (CHEMBL4082179) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2Cl)OC[C@@]1(O)CNC(=O)c1ccccc1F |r| Show InChI InChI=1S/C20H20ClFN2O5/c21-14-7-3-1-5-12(14)18(26)23-9-16-17(25)20(28,11-29-16)10-24-19(27)13-6-2-4-8-15(13)22/h1-8,16-17,25,28H,9-11H2,(H,23,26)(H,24,27)/t16-,17-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.22E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260006 (CHEMBL4078565) Show SMILES O[C@@H]1[C@@H](CN2C(=O)c3ccccc3C2=O)OC[C@@]1(O)CNC(=O)c1ccccc1Cl |r| Show InChI InChI=1S/C21H19ClN2O6/c22-15-8-4-3-7-14(15)18(26)23-10-21(29)11-30-16(17(21)25)9-24-19(27)12-5-1-2-6-13(12)20(24)28/h1-8,16-17,25,29H,9-11H2,(H,23,26)/t16-,17-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259988 (CHEMBL4078108) Show SMILES O[C@H]1CO[C@H](CNC(=O)c2ccccc2Cl)[C@H]1O |r| Show InChI InChI=1S/C12H14ClNO4/c13-8-4-2-1-3-7(8)12(17)14-5-10-11(16)9(15)6-18-10/h1-4,9-11,15-16H,5-6H2,(H,14,17)/t9-,10+,11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.99E+3	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260004 (CHEMBL4079978) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2cnccc2Cl)OC[C@@]1(O)CNC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H20ClN3O5/c20-14-6-7-21-8-13(14)18(26)22-9-15-16(24)19(27,11-28-15)10-23-17(25)12-4-2-1-3-5-12/h1-8,15-16,24,27H,9-11H2,(H,22,26)(H,23,25)/t15-,16-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259993 (CHEMBL4097749) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2Cl)OC[C@@]1(O)CNC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C20H27ClN2O5/c21-15-9-5-4-8-14(15)19(26)22-10-16-17(24)20(27,12-28-16)11-23-18(25)13-6-2-1-3-7-13/h4-5,8-9,13,16-17,24,27H,1-3,6-7,10-12H2,(H,22,26)(H,23,25)/t16-,17-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.56E+3	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260002 (CHEMBL4096484) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2Cl)OC[C@@]1(O)CNCc1ccccc1 |r| Show InChI InChI=1S/C20H23ClN2O4/c21-16-9-5-4-8-15(16)19(25)23-11-17-18(24)20(26,13-27-17)12-22-10-14-6-2-1-3-7-14/h1-9,17-18,22,24,26H,10-13H2,(H,23,25)/t17-,18-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.32E+3	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Fucose-binding lectin PA-IIL (Pseudomonas aeruginosa)	BDBM50505617 (CHEMBL1234282) Show SMILES CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant Pseudomonas aeruginosa lecB expressed in Escherichia coli assessed as dissociation constant by isothermal titration c...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01241 BindingDB Entry DOI: 10.7270/Q21N850K
					More data for this Ligand-Target Pair
Fucose-binding lectin PA-IIL (Pseudomonas aeruginosa)	BDBM50580211 (CHEMBL5081045) Show SMILES C[C@@H]1O[C@@H](OCCOCCn2cc(COCC(COCc3cn(CCOCCO[C@@H]4O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)nn3)N3NNC(CN(Cc4cn(nn4)C(COCc4cn(CCOCCO[C@@H]5O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]5OC(C)=O)nn4)COCc4cn(CCOCCO[C@@H]5O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]5OC(C)=O)nn4)C(=O)c4ccc(cc4)-c4cn(CCCCCCCCCCN=[N+]=[N-])nn4)=C3)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |r,c:163| Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant Pseudomonas aeruginosa lecB expressed in Escherichia coli assessed as dissociation constant by isothermal titration c...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01241 BindingDB Entry DOI: 10.7270/Q21N850K
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50260004 (CHEMBL4079978) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2cnccc2Cl)OC[C@@]1(O)CNC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H20ClN3O5/c20-14-6-7-21-8-13(14)18(26)22-9-15-16(24)19(27,11-28-15)10-23-17(25)12-4-2-1-3-5-12/h1-8,15-16,24,27H,9-11H2,(H,22,26)(H,23,25)/t15-,16-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259995 (CHEMBL4066540) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2cccnc2Cl)OC[C@@]1(O)CNC(=O)c1ccccc1 |r| Show InChI InChI=1S/C19H20ClN3O5/c20-16-13(7-4-8-21-16)18(26)22-9-14-15(24)19(27,11-28-14)10-23-17(25)12-5-2-1-3-6-12/h1-8,14-15,24,27H,9-11H2,(H,22,26)(H,23,25)/t14-,15-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259998 (CHEMBL4077423) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccccc2Cl)OC[C@@]1(O)CNC(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H21ClN2O5/c21-15-9-5-4-8-14(15)19(26)22-10-16-17(24)20(27,12-28-16)11-23-18(25)13-6-2-1-3-7-13/h1-9,16-17,24,27H,10-12H2,(H,22,26)(H,23,25)/t16-,17-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	390	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity treated for 4...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair
Signal transduction protein TRAP (Staphylococcus aureus (strain Mu50 / ATCC 700699))	BDBM50259997 (CHEMBL4075326) Show SMILES O[C@@H]1[C@@H](CNC(=O)c2ccc(cc2)-c2ccccc2)OC[C@@]1(O)CN1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C27H24N2O6/c30-23-22(14-28-24(31)19-12-10-18(11-13-19)17-6-2-1-3-7-17)35-16-27(23,34)15-29-25(32)20-8-4-5-9-21(20)26(29)33/h1-13,22-23,30,34H,14-16H2,(H,28,31)/t22-,23-,27+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus Mu50 TRAP assessed as potentiation of vancomycin-induced antibiofilm activity cotreated wit...				ACS Med Chem Lett 8: 38-42 (2017) Article DOI: 10.1021/acsmedchemlett.6b00315 BindingDB Entry DOI: 10.7270/Q2RR21QM
					More data for this Ligand-Target Pair

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