Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with Target = 'Transglycosylase'   

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
Transglycosylase (Staphylococcus aureus)	BDBM50217283 (CHEMBL1626887) Show SMILES C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CCO)(CC4)CC5)ccc3-c2c1 |c:6| Show InChI InChI=1S/C31H34N3O6/c1-18(36)27-26-16-23(28(31(39)40)32(26)30(27)38)20-3-5-22-24(15-20)21-4-2-19(14-25(21)29(22)37)17-34-9-6-33(7-10-34,8-11-34)12-13-35/h2-5,14-15,18,26-27,35-36H,6-13,16-17H2,1H3/q+1/p+1/t18-,26-,27-,33?,34?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	275	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217275 (CHEMBL1626955) Show SMILES C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](C)(CC4)CC5)ccc3-c2c1 |c:6| Show InChI InChI=1S/C30H32N3O5/c1-17(34)26-25-15-22(27(30(37)38)31(25)29(26)36)19-4-6-21-23(14-19)20-5-3-18(13-24(20)28(21)35)16-33-10-7-32(2,8-11-33)9-12-33/h3-6,13-14,17,25-26,34H,7-12,15-16H2,1-2H3/q+1/p+1/t17-,25-,26-,32?,33?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	306	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217301 (CHEMBL1626950) Show SMILES CC[N+]12CC[N+](Cc3ccc-4c(c3)C(=O)c3ccc(cc-43)C3=C(N4[C@H](C3)[C@@H]([C@@H](C)O)C4=O)C(O)=O)(CC1)CC2 |t:24| Show InChI InChI=1S/C31H34N3O5/c1-3-33-8-11-34(12-9-33,13-10-33)17-19-4-6-21-24-15-20(5-7-22(24)29(36)25(21)14-19)23-16-26-27(18(2)35)30(37)32(26)28(23)31(38)39/h4-7,14-15,18,26-27,35H,3,8-13,16-17H2,1-2H3/q+1/p+1/t18-,26-,27-,33?,34?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	416	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217255 (CHEMBL1626901) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)Nc6ccccn6)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C37H37N5O6/c1-21-31(34(37(47)48)40-33(21)32(22(2)43)36(40)46)24-7-9-26-27(18-24)25-8-6-23(17-28(25)35(26)45)19-41-11-14-42(15-12-41,16-13-41)20-30(44)39-29-5-3-4-10-38-29/h3-10,17-18,21-22,32-33,43H,11-16,19-20H2,1-2H3/p+2/t21-,22+,32+,33+,41?,42?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217287 (CHEMBL1626933) Show SMILES CCC[N+]12CC[N+](Cc3ccc-4c(c3)C(=O)c3ccc(cc-43)C3=C(N4[C@H](C3)[C@@H]([C@@H](C)O)C4=O)C(O)=O)(CC1)CC2 |t:25| Show InChI InChI=1S/C32H36N3O5/c1-3-8-34-9-12-35(13-10-34,14-11-34)18-20-4-6-22-25-16-21(5-7-23(25)30(37)26(22)15-20)24-17-27-28(19(2)36)31(38)33(27)29(24)32(39)40/h4-7,15-16,19,27-28,36H,3,8-14,17-18H2,1-2H3/q+1/p+1/t19-,27-,28-,34?,35?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	455	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217263 (CHEMBL1626899) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC#N)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C32H33N4O5/c1-18-26(29(32(40)41)34-28(18)27(19(2)37)31(34)39)21-4-6-23-24(16-21)22-5-3-20(15-25(22)30(23)38)17-36-12-9-35(8-7-33,10-13-36)11-14-36/h3-6,15-16,18-19,27-28,37H,8-14,17H2,1-2H3/q+1/p+1/t18-,19+,27+,28+,35?,36?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	463	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217282 (CHEMBL1626947) Show SMILES C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)Nc6ccccc6)(CC4)CC5)ccc3-c2c1 |c:6| Show InChI InChI=1S/C37H36N4O6/c1-22(42)33-31-19-28(34(37(46)47)39(31)36(33)45)24-8-10-27-29(18-24)26-9-7-23(17-30(26)35(27)44)20-40-11-14-41(15-12-40,16-13-40)21-32(43)38-25-5-3-2-4-6-25/h2-10,17-18,22,31,33,42H,11-16,19-21H2,1H3/p+2/t22-,31-,33-,40?,41?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	467	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217288 (CHEMBL1626948) Show SMILES C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC#N)(CC4)CC5)ccc3-c2c1 |c:6| Show InChI InChI=1S/C31H31N4O5/c1-18(36)27-26-16-23(28(31(39)40)33(26)30(27)38)20-3-5-22-24(15-20)21-4-2-19(14-25(21)29(22)37)17-35-11-8-34(7-6-32,9-12-35)10-13-35/h2-5,14-15,18,26-27,36H,7-13,16-17H2,1H3/q+1/p+1/t18-,26-,27-,34?,35?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	474	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217291 (CHEMBL1626970) Show SMILES CNC(=O)C[N+]12CC[N+](Cc3ccc-4c(c3)C(=O)c3ccc(cc-43)C3=C(N4[C@@H]([C@@H]([C@@H](C)O)C4=O)[C@H]3C)C(O)=O)(CC1)CC2 |t:27| Show InChI InChI=1S/C33H36N4O6/c1-18-27(30(33(42)43)35-29(18)28(19(2)38)32(35)41)21-5-7-23-24(15-21)22-6-4-20(14-25(22)31(23)40)16-36-8-11-37(12-9-36,13-10-36)17-26(39)34-3/h4-7,14-15,18-19,28-29,38H,8-13,16-17H2,1-3H3/p+2/t18-,19+,28+,29+,36?,37?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217271 (CHEMBL1626903) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CCOc6ccccc6)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C38H40N3O6/c1-23-32(35(38(45)46)39-34(23)33(24(2)42)37(39)44)26-9-11-29-30(21-26)28-10-8-25(20-31(28)36(29)43)22-41-15-12-40(13-16-41,14-17-41)18-19-47-27-6-4-3-5-7-27/h3-11,20-21,23-24,33-34,42H,12-19,22H2,1-2H3/q+1/p+1/t23-,24+,33+,34+,40?,41?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	566	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217267 (CHEMBL432966 | L-741462) Show SMILES [Cl-].[H][C@]12CC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(N)=O)(CC4)CC5)ccc3-c2c1 |c:3| Show InChI InChI=1S/C31H32N4O6/c1-17(36)27-25-14-22(28(31(40)41)33(25)30(27)39)19-3-5-21-23(13-19)20-4-2-18(12-24(20)29(21)38)15-34-6-9-35(10-7-34,11-8-34)16-26(32)37/h2-5,12-13,17,25,27,36H,6-11,14-16H2,1H3,(H-2,32,37,40,41)/p+1/t17-,25-,27-,34?,35?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	573	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217278 (CHEMBL1626946) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)N(C)C)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C34H39N4O6/c1-19-28(31(34(43)44)36-30(19)29(20(2)39)33(36)42)22-6-8-24-25(16-22)23-7-5-21(15-26(23)32(24)41)17-37-9-12-38(13-10-37,14-11-37)18-27(40)35(3)4/h5-8,15-16,19-20,29-30,39H,9-14,17-18H2,1-4H3/q+1/p+1/t19-,20+,29+,30+,37?,38?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217264 (CHEMBL1626922) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)Nc6cccnc6)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C37H37N5O6/c1-21-31(34(37(47)48)40-33(21)32(22(2)43)36(40)46)24-6-8-27-28(17-24)26-7-5-23(16-29(26)35(27)45)19-41-10-13-42(14-11-41,15-12-41)20-30(44)39-25-4-3-9-38-18-25/h3-9,16-18,21-22,32-33,43H,10-15,19-20H2,1-2H3/p+2/t21-,22+,32+,33+,41?,42?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217256 (CHEMBL1626942) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)Nc6ccc(O)cc6)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C38H38N4O7/c1-21-32(35(38(48)49)40-34(21)33(22(2)43)37(40)47)24-4-10-28-29(18-24)27-9-3-23(17-30(27)36(28)46)19-41-11-14-42(15-12-41,16-13-41)20-31(45)39-25-5-7-26(44)8-6-25/h3-10,17-18,21-22,33-34,43H,11-16,19-20H2,1-2H3,(H-2,39,44,45,48,49)/p+2/t21-,22+,33+,34+,41?,42?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	652	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217298 (CHEMBL1626917) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CCCO)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C33H38N3O6/c1-19-27(30(33(41)42)34-29(19)28(20(2)38)32(34)40)22-5-7-24-25(17-22)23-6-4-21(16-26(23)31(24)39)18-36-12-9-35(10-13-36,11-14-36)8-3-15-37/h4-7,16-17,19-20,28-29,37-38H,3,8-15,18H2,1-2H3/q+1/p+1/t19-,20+,28+,29+,35?,36?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	729	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217258 (CHEMBL1626914) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)Nc6cccc(c6)C#N)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C39H37N5O6/c1-22-33(36(39(49)50)42-35(22)34(23(2)45)38(42)48)26-7-9-29-30(18-26)28-8-6-25(17-31(28)37(29)47)20-43-10-13-44(14-11-43,15-12-43)21-32(46)41-27-5-3-4-24(16-27)19-40/h3-9,16-18,22-23,34-35,45H,10-15,20-21H2,1-2H3/p+2/t22-,23+,34+,35+,43?,44?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	752	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217260 (CHEMBL1626883) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)Nc6nccs6)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C35H35N5O6S/c1-19-28(31(34(45)46)38-30(19)29(20(2)41)33(38)44)22-4-6-24-25(16-22)23-5-3-21(15-26(23)32(24)43)17-39-8-11-40(12-9-39,13-10-39)18-27(42)37-35-36-7-14-47-35/h3-7,14-16,19-20,29-30,41H,8-13,17-18H2,1-2H3/p+2/t19-,20+,29+,30+,39?,40?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	853	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217277 (CHEMBL1626913) Show SMILES COc1ccccc1NC(=O)C[N+]12CC[N+](Cc3ccc-4c(c3)C(=O)c3ccc(cc-43)C3=C(N4[C@@H]([C@@H]([C@@H](C)O)C4=O)[C@H]3C)C(O)=O)(CC1)CC2 |t:35| Show InChI InChI=1S/C39H40N4O7/c1-22-33(36(39(48)49)41-35(22)34(23(2)44)38(41)47)25-9-11-27-28(19-25)26-10-8-24(18-29(26)37(27)46)20-42-12-15-43(16-13-42,17-14-42)21-32(45)40-30-6-4-5-7-31(30)50-3/h4-11,18-19,22-23,34-35,44H,12-17,20-21H2,1-3H3/p+2/t22-,23+,34+,35+,42?,43?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	867	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217252 (CHEMBL1626949) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)c6ccccc6)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C38H38N3O6/c1-22-32(35(38(46)47)39-34(22)33(23(2)42)37(39)45)26-9-11-28-29(19-26)27-10-8-24(18-30(27)36(28)44)20-40-12-15-41(16-13-40,17-14-40)21-31(43)25-6-4-3-5-7-25/h3-11,18-19,22-23,33-34,42H,12-17,20-21H2,1-2H3/q+1/p+1/t22-,23+,33+,34+,40?,41?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	879	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217300 (CHEMBL1626960) Show SMILES CCC[N+]12CC[N+](Cc3ccc-4c(c3)C(=O)c3ccc(cc-43)C3=C(N4[C@@H]([C@@H]([C@@H](C)O)C4=O)[C@H]3C)C(O)=O)(CC1)CC2 |t:25| Show InChI InChI=1S/C33H38N3O5/c1-4-9-35-10-13-36(14-11-35,15-12-35)18-21-5-7-23-25-17-22(6-8-24(25)31(38)26(23)16-21)27-19(2)29-28(20(3)37)32(39)34(29)30(27)33(40)41/h5-8,16-17,19-20,28-29,37H,4,9-15,18H2,1-3H3/q+1/p+1/t19-,20+,28+,29+,35?,36?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	906	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217296 (CHEMBL1626967) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)Nc6ccccc6C(N)=O)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C39H39N5O7/c1-21-32(35(39(50)51)42-34(21)33(22(2)45)38(42)49)24-8-10-26-28(18-24)25-9-7-23(17-29(25)36(26)47)19-43-11-14-44(15-12-43,16-13-43)20-31(46)41-30-6-4-3-5-27(30)37(40)48/h3-10,17-18,21-22,33-34,45H,11-16,19-20H2,1-2H3,(H2-2,40,41,46,48,50,51)/p+2/t21-,22+,33+,34+,43?,44?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217254 (CHEMBL1626940) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CCO)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C32H36N3O6/c1-18-26(29(32(40)41)33-28(18)27(19(2)37)31(33)39)21-4-6-23-24(16-21)22-5-3-20(15-25(22)30(23)38)17-35-10-7-34(8-11-35,9-12-35)13-14-36/h3-6,15-16,18-19,27-28,36-37H,7-14,17H2,1-2H3/q+1/p+1/t18-,19+,27+,28+,34?,35?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217266 (CHEMBL422426 | L-695256) Show SMILES [H][C@]12CC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O)c1ccc2C(=O)c3cc(C[n+]4ccn(C)c4)ccc3-c2c1 |c:3| Show InChI InChI=1S/C27H23N3O5/c1-14(31)23-22-11-19(24(27(34)35)30(22)26(23)33)16-4-6-18-20(10-16)17-5-3-15(9-21(17)25(18)32)12-29-8-7-28(2)13-29/h3-10,13-14,22-23,31H,11-12H2,1-2H3/t14-,22-,23-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217279 (CHEMBL1626902) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)Nc6ccccc6C#N)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C39H37N5O6/c1-22-33(36(39(49)50)42-35(22)34(23(2)45)38(42)48)25-8-10-28-29(18-25)27-9-7-24(17-30(27)37(28)47)20-43-11-14-44(15-12-43,16-13-43)21-32(46)41-31-6-4-3-5-26(31)19-40/h3-10,17-18,22-23,34-35,45H,11-16,20-21H2,1-2H3/p+2/t22-,23+,34+,35+,43?,44?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217302 (CHEMBL1626953) Show SMILES COc1ccc(NC(=O)C[N+]23CC[N+](Cc4ccc-5c(c4)C(=O)c4ccc(cc-54)C4=C(N5[C@@H]([C@@H]([C@@H](C)O)C5=O)[C@H]4C)C(O)=O)(CC2)CC3)cc1 |t:32| Show InChI InChI=1S/C39H40N4O7/c1-22-33(36(39(48)49)41-35(22)34(23(2)44)38(41)47)25-5-11-29-30(19-25)28-10-4-24(18-31(28)37(29)46)20-42-12-15-43(16-13-42,17-14-42)21-32(45)40-26-6-8-27(50-3)9-7-26/h4-11,18-19,22-23,34-35,44H,12-17,20-21H2,1-3H3/p+2/t22-,23+,34+,35+,42?,43?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217294 (CHEMBL1626971) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)Nc6ccncc6)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C37H37N5O6/c1-21-31(34(37(47)48)40-33(21)32(22(2)43)36(40)46)24-4-6-27-28(18-24)26-5-3-23(17-29(26)35(27)45)19-41-11-14-42(15-12-41,16-13-41)20-30(44)39-25-7-9-38-10-8-25/h3-10,17-18,21-22,32-33,43H,11-16,19-20H2,1-2H3/p+2/t21-,22+,32+,33+,41?,42?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217257 (CHEMBL1626956) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)Nc6cccc(c6)C(N)=O)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C39H39N5O7/c1-21-32(35(39(50)51)42-34(21)33(22(2)45)38(42)49)24-7-9-28-29(18-24)27-8-6-23(16-30(27)36(28)47)19-43-10-13-44(14-11-43,15-12-43)20-31(46)41-26-5-3-4-25(17-26)37(40)48/h3-9,16-18,21-22,33-34,45H,10-15,19-20H2,1-2H3,(H2-2,40,41,46,48,50,51)/p+2/t21-,22+,33+,34+,43?,44?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217280 (CHEMBL1626945) Show SMILES CCCNC(=O)C[N+]12CC[N+](Cc3ccc-4c(c3)C(=O)c3ccc(cc-43)C3=C(N4[C@@H]([C@@H]([C@@H](C)O)C4=O)[C@H]3C)C(O)=O)(CC1)CC2 |t:29| Show InChI InChI=1S/C35H40N4O6/c1-4-9-36-28(41)19-39-13-10-38(11-14-39,12-15-39)18-22-5-7-24-26-17-23(6-8-25(26)33(42)27(24)16-22)29-20(2)31-30(21(3)40)34(43)37(31)32(29)35(44)45/h5-8,16-17,20-21,30-31,40H,4,9-15,18-19H2,1-3H3/p+2/t20-,21+,30+,31+,38?,39?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217293 (CHEMBL1626969) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)N(C)c6ccccc6)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C39H41N4O6/c1-23-33(36(39(48)49)41-35(23)34(24(2)44)38(41)47)26-10-12-29-30(20-26)28-11-9-25(19-31(28)37(29)46)21-42-13-16-43(17-14-42,18-15-42)22-32(45)40(3)27-7-5-4-6-8-27/h4-12,19-20,23-24,34-35,44H,13-18,21-22H2,1-3H3/q+1/p+1/t23-,24+,34+,35+,42?,43?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217290 (CHEMBL1626881) Show SMILES CC(C)NC(=O)C[N+]12CC[N+](Cc3ccc-4c(c3)C(=O)c3ccc(cc-43)C3=C(N4[C@@H]([C@@H]([C@@H](C)O)C4=O)[C@H]3C)C(O)=O)(CC1)CC2 |t:29| Show InChI InChI=1S/C35H40N4O6/c1-19(2)36-28(41)18-39-12-9-38(10-13-39,11-14-39)17-22-5-7-24-26-16-23(6-8-25(26)33(42)27(24)15-22)29-20(3)31-30(21(4)40)34(43)37(31)32(29)35(44)45/h5-8,15-16,19-21,30-31,40H,9-14,17-18H2,1-4H3/p+2/t20-,21+,30+,31+,38?,39?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217281 (CHEMBL1626890) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](C)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C31H34N3O5/c1-17-25(28(31(38)39)32-27(17)26(18(2)35)30(32)37)20-5-7-22-23(15-20)21-6-4-19(14-24(21)29(22)36)16-34-11-8-33(3,9-12-34)10-13-34/h4-7,14-15,17-18,26-27,35H,8-13,16H2,1-3H3/q+1/p+1/t17-,18+,26+,27+,33?,34?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217265 (CHEMBL1626936) Show SMILES C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CCCO)(CC4)CC5)ccc3-c2c1 |c:6| Show InChI InChI=1S/C32H36N3O6/c1-19(37)28-27-17-24(29(32(40)41)33(27)31(28)39)21-4-6-23-25(16-21)22-5-3-20(15-26(22)30(23)38)18-35-11-8-34(9-12-35,10-13-35)7-2-14-36/h3-6,15-16,19,27-28,36-37H,2,7-14,17-18H2,1H3/q+1/p+1/t19-,27-,28-,34?,35?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217304 (CHEMBL1626937) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)Nc6cccc(c6)C(C)=O)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C40H40N4O7/c1-22-34(37(40(50)51)42-36(22)35(24(3)46)39(42)49)27-8-10-30-31(19-27)29-9-7-25(17-32(29)38(30)48)20-43-11-14-44(15-12-43,16-13-43)21-33(47)41-28-6-4-5-26(18-28)23(2)45/h4-10,17-19,22,24,35-36,46H,11-16,20-21H2,1-3H3/p+2/t22-,24+,35+,36+,43?,44?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217262 (CHEMBL1626891) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)Nc6ccc(CCO)cc6)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C40H42N4O7/c1-23-34(37(40(50)51)42-36(23)35(24(2)46)39(42)49)27-6-10-30-31(20-27)29-9-5-26(19-32(29)38(30)48)21-43-12-15-44(16-13-43,17-14-43)22-33(47)41-28-7-3-25(4-8-28)11-18-45/h3-10,19-20,23-24,35-36,45-46H,11-18,21-22H2,1-2H3/p+2/t23-,24+,35+,36+,43?,44?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217295 (CHEMBL322522 | L-742728) Show SMILES [Cl-].[H][C@]12[C@@H](C)C(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(N)=O)(CC4)CC5)ccc3-c2c1 |c:4| Show InChI InChI=1S/C32H34N4O6/c1-17-26(29(32(41)42)34-28(17)27(18(2)37)31(34)40)20-4-6-22-23(14-20)21-5-3-19(13-24(21)30(22)39)15-35-7-10-36(11-8-35,12-9-35)16-25(33)38/h3-6,13-14,17-18,27-28,37H,7-12,15-16H2,1-2H3,(H-2,33,38,41,42)/p+1/t17-,18+,27+,28+,35?,36?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217289 (CHEMBL1626918) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)NCc6ccccc6)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C39H40N4O6/c1-23-33(36(39(48)49)41-35(23)34(24(2)44)38(41)47)27-9-11-29-30(19-27)28-10-8-26(18-31(28)37(29)46)21-42-12-15-43(16-13-42,17-14-42)22-32(45)40-20-25-6-4-3-5-7-25/h3-11,18-19,23-24,34-35,44H,12-17,20-22H2,1-2H3/p+2/t23-,24+,34+,35+,42?,43?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217261 (CHEMBL1626919) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)NC6CCCC6)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C37H42N4O6/c1-21-31(34(37(46)47)39-33(21)32(22(2)42)36(39)45)24-8-10-27-28(18-24)26-9-7-23(17-29(26)35(27)44)19-40-11-14-41(15-12-40,16-13-40)20-30(43)38-25-5-3-4-6-25/h7-10,17-18,21-22,25,32-33,42H,3-6,11-16,19-20H2,1-2H3/p+2/t21-,22+,32+,33+,40?,41?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217297 (CHEMBL1626941) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)Nc6ccc(cc6)C#N)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C39H37N5O6/c1-22-33(36(39(49)50)42-35(22)34(23(2)45)38(42)48)26-6-10-29-30(18-26)28-9-5-25(17-31(28)37(29)47)20-43-11-14-44(15-12-43,16-13-43)21-32(46)41-27-7-3-24(19-40)4-8-27/h3-10,17-18,22-23,34-35,45H,11-16,20-21H2,1-2H3/p+2/t22-,23+,34+,35+,43?,44?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217292 (CHEMBL1626908) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)Nc6cccc(CO)c6)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C39H40N4O7/c1-22-33(36(39(49)50)41-35(22)34(23(2)45)38(41)48)26-7-9-29-30(18-26)28-8-6-24(17-31(28)37(29)47)19-42-10-13-43(14-11-42,15-12-42)20-32(46)40-27-5-3-4-25(16-27)21-44/h3-9,16-18,22-23,34-35,44-45H,10-15,19-21H2,1-2H3/p+2/t22-,23+,34+,35+,42?,43?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217284 (CHEMBL1626882) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)Nc6ccccc6)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C38H38N4O6/c1-22-32(35(38(47)48)40-34(22)33(23(2)43)37(40)46)25-9-11-28-29(19-25)27-10-8-24(18-30(27)36(28)45)20-41-12-15-42(16-13-41,17-14-41)21-31(44)39-26-6-4-3-5-7-26/h3-11,18-19,22-23,33-34,43H,12-17,20-21H2,1-2H3/p+2/t22-,23+,33+,34+,41?,42?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217276 (CHEMBL1626885) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)Nc6ccc(cc6)C(N)=O)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C39H39N5O7/c1-21-32(35(39(50)51)42-34(21)33(22(2)45)38(42)49)25-6-10-28-29(18-25)27-9-3-23(17-30(27)36(28)47)19-43-11-14-44(15-12-43,16-13-43)20-31(46)41-26-7-4-24(5-8-26)37(40)48/h3-10,17-18,21-22,33-34,45H,11-16,19-20H2,1-2H3,(H2-2,40,41,46,48,50,51)/p+2/t21-,22+,33+,34+,43?,44?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217286 (CHEMBL1626912) Show SMILES COc1cccc(NC(=O)C[N+]23CC[N+](Cc4ccc-5c(c4)C(=O)c4ccc(cc-54)C4=C(N5[C@@H]([C@@H]([C@@H](C)O)C5=O)[C@H]4C)C(O)=O)(CC2)CC3)c1 |t:33| Show InChI InChI=1S/C39H40N4O7/c1-22-33(36(39(48)49)41-35(22)34(23(2)44)38(41)47)25-8-10-29-30(18-25)28-9-7-24(17-31(28)37(29)46)20-42-11-14-43(15-12-42,16-13-42)21-32(45)40-26-5-4-6-27(19-26)50-3/h4-10,17-19,22-23,34-35,44H,11-16,20-21H2,1-3H3/p+2/t22-,23+,34+,35+,42?,43?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217253 (CHEMBL1626911) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)Nc6ccc(CO)cc6)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C39H40N4O7/c1-22-33(36(39(49)50)41-35(22)34(23(2)45)38(41)48)26-6-10-29-30(18-26)28-9-5-25(17-31(28)37(29)47)19-42-11-14-43(15-12-42,16-13-42)20-32(46)40-27-7-3-24(21-44)4-8-27/h3-10,17-18,22-23,34-35,44-45H,11-16,19-21H2,1-2H3/p+2/t22-,23+,34+,35+,42?,43?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217285 (CHEMBL1626905) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CCCC(N)=O)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C34H38N4O6/c1-19-28(31(34(43)44)36-30(19)29(20(2)39)33(36)42)22-6-8-24-25(17-22)23-7-5-21(16-26(23)32(24)41)18-38-13-10-37(11-14-38,12-15-38)9-3-4-27(35)40/h5-8,16-17,19-20,29-30,39H,3-4,9-15,18H2,1-2H3,(H-2,35,40,43,44)/p+2/t19-,20+,29+,30+,37?,38?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217303 (CHEMBL1626934) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)Nc6ccc(cc6)C(C)=O)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C40H40N4O7/c1-22-34(37(40(50)51)42-36(22)35(24(3)46)39(42)49)27-7-11-30-31(19-27)29-10-4-25(18-32(29)38(30)48)20-43-12-15-44(16-13-43,17-14-43)21-33(47)41-28-8-5-26(6-9-28)23(2)45/h4-11,18-19,22,24,35-36,46H,12-17,20-21H2,1-3H3/p+2/t22-,24+,35+,36+,43?,44?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217259 (CHEMBL1626906) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](Cc6ccccc6)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C37H38N3O5/c1-22-31(34(37(44)45)38-33(22)32(23(2)41)36(38)43)26-9-11-28-29(19-26)27-10-8-25(18-30(27)35(28)42)21-40-15-12-39(13-16-40,14-17-40)20-24-6-4-3-5-7-24/h3-11,18-19,22-23,32-33,41H,12-17,20-21H2,1-2H3/q+1/p+1/t22-,23+,32+,33+,39?,40?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50217299 (CHEMBL1626935) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(O)=O)c1ccc2C(=O)c3cc(C[N+]45CC[N+](CC(=O)NC(C)(C)C)(CC4)CC5)ccc3-c2c1 |c:7| Show InChI InChI=1S/C36H42N4O6/c1-20-29(32(35(45)46)38-31(20)30(21(2)41)34(38)44)23-7-9-25-26(17-23)24-8-6-22(16-27(24)33(25)43)18-39-10-13-40(14-11-39,15-12-39)19-28(42)37-36(3,4)5/h6-9,16-17,20-21,30-31,41H,10-15,18-19H2,1-5H3/p+2/t20-,21+,30+,31+,39?,40?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair
Transglycosylase (Staphylococcus aureus)	BDBM50213266 (CHEBI:471744 | Imipenem | MK-0787) Show SMILES [H][C@]12CC(SCCNC=N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O |r,c:9| Show InChI InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.34E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against PBP2a receptor by competition analysis with [3H]benzylpenicillin using cell membrane fractions from the MRSA COL strain.				Bioorg Med Chem Lett 9: 3225-30 (1999) BindingDB Entry DOI: 10.7270/Q2KW5J62
					More data for this Ligand-Target Pair