Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'Putative penicillin-binding protein 2B'   

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
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50611988 (CEFTAROLINE | Ceftaroline | T 91825 | T-91825) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	UniChem		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50611990 (CHEMBL3805841) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PDB UniChem		n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50483327 (CEFTOBIPROLE MEDOCARIL) Show SMILES [H][C@]12SCC(\C=C3/CCN([C@@H]4CCN(C4)C(=O)OCc4oc(=O)oc4C)C3=O)=C(N1C(=O)[C@H]2NC(=O)C(=N\O)\c1nsc(N)n1)C(O)=O |r,c:30| Show InChI InChI=1S/C26H26N8O11S2/c1-10-14(45-26(41)44-10)8-43-25(40)32-4-3-13(7-32)33-5-2-11(20(33)36)6-12-9-46-22-16(21(37)34(22)17(12)23(38)39)28-19(35)15(30-42)18-29-24(27)47-31-18/h6,13,16,22,42H,2-5,7-9H2,1H3,(H,28,35)(H,38,39)(H2,27,29,31)/b11-6+,30-15+/t13-,16-,22-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Inhibition of methicillin-susceptible Staphylococcus aureus ATCC 29213 PBP 1				Antimicrob Agents Chemother 53: 4051-63 (2009) Article DOI: 10.1128/AAC.00084-09 BindingDB Entry DOI: 10.7270/Q2R21479
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50482776 (CHEBI:70718 | Ceftaroline Fosamil | PPI-0903 | TAK...) Show SMILES [H][C@]12SCC(Sc3nc(cs3)-c3cc[n+](C)cc3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC)\c1nsc(NP(O)(O)=O)n1)C([O-])=O |r,c:19| Show InChI InChI=1S/C22H21N8O8PS4/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37)/b26-13-/t14-,19-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Binding affinity to methicillin-susceptible Staphylococcus aureus PBP 1				Antimicrob Agents Chemother 53: 4051-63 (2009) Article DOI: 10.1128/AAC.00084-09 BindingDB Entry DOI: 10.7270/Q2R21479
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50378857 (CEFTOBIPROLE | Zeftera | Zevtera) Show SMILES Nc1nc(ns1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C3CCN([C@@H]4CCNC4)C3=O)=C(N2C1=O)C(O)=O |r,w:17.17,c:31| Show InChI InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10-12,18,22H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/t10-,11?,12-,18-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of bocillin FL binding to methicillin-susceptible Staphylococcus aureus ATCC 29213 penicillin-binding protein 1				Antimicrob Agents Chemother 51: 2621-4 (2007) Article DOI: 10.1128/aac.00029-07 BindingDB Entry DOI: 10.7270/Q2VH5RN2
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50103601 (CHEBI:29007 | Ceftriaxone) Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22| Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	901	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of bocillin FL binding to methicillin-susceptible Staphylococcus aureus ATCC 29213 penicillin-binding protein 1				Antimicrob Agents Chemother 51: 2621-4 (2007) Article DOI: 10.1128/aac.00029-07 BindingDB Entry DOI: 10.7270/Q2VH5RN2
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50218769 (CHEMBL67628) Show SMILES OC(=O)C(F)(F)F.CO\N=C(\C(=O)NC1CS(=O)(=O)N(CC(O)=O)C1=O)c1csc(N)n1 Show InChI InChI=1S/C11H13N5O7S2.C2HF3O2/c1-23-15-8(5-3-24-11(12)14-5)9(19)13-6-4-25(21,22)16(10(6)20)2-7(17)18;3-2(4,5)1(6)7/h3,6H,2,4H2,1H3,(H2,12,14)(H,13,19)(H,17,18);(H,6,7)/b15-8+;	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.94E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus				Bioorg Med Chem Lett 11: 2111-5 (2001) BindingDB Entry DOI: 10.7270/Q26H4KKT
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50218762 (CHEMBL306206) Show SMILES CCCCNOS(=O)(=O)N1C(=O)[C@H](CS1(=O)=O)NC(=O)COc1ccc(Cl)cc1 Show InChI InChI=1S/C15H20ClN3O8S2/c1-2-3-8-17-27-29(24,25)19-15(21)13(10-28(19,22)23)18-14(20)9-26-12-6-4-11(16)5-7-12/h4-7,13,17H,2-3,8-10H2,1H3,(H,18,20)/t13-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.32E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus				Bioorg Med Chem Lett 11: 2111-5 (2001) BindingDB Entry DOI: 10.7270/Q26H4KKT
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50218764 (CHEMBL67669) Show SMILES CC(C)[C@@H](N1[S+]([O-])C[C@H](NC(=O)COc2ccccc2)C1=O)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C23H26N2O6S/c1-16(2)21(23(28)31-13-17-9-5-3-6-10-17)25-22(27)19(15-32(25)29)24-20(26)14-30-18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3,(H,24,26)/t19-,21+,32?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.45E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus				Bioorg Med Chem Lett 11: 2111-5 (2001) BindingDB Entry DOI: 10.7270/Q26H4KKT
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50218771 (CHEMBL63749) Show SMILES Clc1ccc(OC(=O)NC2CS(=O)(=O)N(CC(=O)OCc3ccccc3)C2=O)cc1 Show InChI InChI=1S/C19H17ClN2O7S/c20-14-6-8-15(9-7-14)29-19(25)21-16-12-30(26,27)22(18(16)24)10-17(23)28-11-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,21,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus				Bioorg Med Chem Lett 11: 2111-5 (2001) BindingDB Entry DOI: 10.7270/Q26H4KKT
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50218772 (CHEMBL66853) Show SMILES CC(C)C(N1C(=O)C(CS1(=O)=O)NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C Show InChI InChI=1S/C20H28N2O7S/c1-13(2)16(18(24)29-20(3,4)5)22-17(23)15(12-30(22,26)27)21-19(25)28-11-14-9-7-6-8-10-14/h6-10,13,15-16H,11-12H2,1-5H3,(H,21,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus				Bioorg Med Chem Lett 11: 2111-5 (2001) BindingDB Entry DOI: 10.7270/Q26H4KKT
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50218763 (CHEMBL67946) Show SMILES CC(N1C(=O)C(CS1(=O)=O)NC(=O)Oc1ccc(Cl)cc1)C(=O)OC(C)(C)C Show InChI InChI=1S/C17H21ClN2O7S/c1-10(15(22)27-17(2,3)4)20-14(21)13(9-28(20,24)25)19-16(23)26-12-7-5-11(18)6-8-12/h5-8,10,13H,9H2,1-4H3,(H,19,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.77E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus				Bioorg Med Chem Lett 11: 2111-5 (2001) BindingDB Entry DOI: 10.7270/Q26H4KKT
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50218767 (CHEMBL67954) Show SMILES CC(C)[C@H](N1C(=O)C(CS1(=O)=O)NC(=O)COc1ccccc1)C(O)=O Show InChI InChI=1S/C16H20N2O7S/c1-10(2)14(16(21)22)18-15(20)12(9-26(18,23)24)17-13(19)8-25-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,17,19)(H,21,22)/t12?,14-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>6.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus				Bioorg Med Chem Lett 11: 2111-5 (2001) BindingDB Entry DOI: 10.7270/Q26H4KKT
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50218765 (CHEMBL66962) Show SMILES CC(N1C(=O)C(CS1(=O)=O)NC(=O)Oc1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C13H13ClN2O7S/c1-7(12(18)19)16-11(17)10(6-24(16,21)22)15-13(20)23-9-4-2-8(14)3-5-9/h2-5,7,10H,6H2,1H3,(H,15,20)(H,18,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>6.63E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus				Bioorg Med Chem Lett 11: 2111-5 (2001) BindingDB Entry DOI: 10.7270/Q26H4KKT
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50218773 (CHEMBL432719) Show SMILES CC(C)[C@@H](N1[S+]([O-])C[C@H](NC(=O)COc2ccccc2)C1=O)C(O)=O |r| Show InChI InChI=1S/C16H20N2O6S/c1-10(2)14(16(21)22)18-15(20)12(9-25(18)23)17-13(19)8-24-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,17,19)(H,21,22)/t12-,14+,25?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>6.78E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus				Bioorg Med Chem Lett 11: 2111-5 (2001) BindingDB Entry DOI: 10.7270/Q26H4KKT
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50218761 (CHEMBL304925) Show SMILES CC(C)[C@H](N1[S+]([O-])C[C@H](NC(=O)COc2ccccc2)C1=O)C(O)=O |r| Show InChI InChI=1S/C16H20N2O6S/c1-10(2)14(16(21)22)18-15(20)12(9-25(18)23)17-13(19)8-24-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,17,19)(H,21,22)/t12-,14-,25?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>6.78E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus				Bioorg Med Chem Lett 11: 2111-5 (2001) BindingDB Entry DOI: 10.7270/Q26H4KKT
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50218760 (CHEMBL304750) Show SMILES CCCCNOS(=O)(=O)N1C[C@H](NC(=O)Cc2ccccc2)C1=O Show InChI InChI=1S/C15H21N3O5S/c1-2-3-9-16-23-24(21,22)18-11-13(15(18)20)17-14(19)10-12-7-5-4-6-8-12/h4-8,13,16H,2-3,9-11H2,1H3,(H,17,19)/t13-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>7.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus				Bioorg Med Chem Lett 11: 2111-5 (2001) BindingDB Entry DOI: 10.7270/Q26H4KKT
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50218768 (CHEMBL68222) Show SMILES OC(=O)CN1C(=O)C(CS1(=O)=O)NC(=O)COc1ccccc1 Show InChI InChI=1S/C13H14N2O7S/c16-11(7-22-9-4-2-1-3-5-9)14-10-8-23(20,21)15(13(10)19)6-12(17)18/h1-5,10H,6-8H2,(H,14,16)(H,17,18)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>7.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus				Bioorg Med Chem Lett 11: 2111-5 (2001) BindingDB Entry DOI: 10.7270/Q26H4KKT
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50218766 (CHEMBL67473) Show SMILES CC(C)[C@@H](N1C[C@H](NC(=O)COc2ccccc2)C1=O)C(O)=O Show InChI InChI=1S/C16H20N2O5/c1-10(2)14(16(21)22)18-8-12(15(18)20)17-13(19)9-23-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,17,19)(H,21,22)/t12-,14+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>7.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus				Bioorg Med Chem Lett 11: 2111-5 (2001) BindingDB Entry DOI: 10.7270/Q26H4KKT
					More data for this Ligand-Target Pair
Putative penicillin-binding protein 2B (Staphylococcus aureus)	BDBM50218770 (CHEMBL294507) Show SMILES OC(=O)CN1C[C@H](NC(=O)COc2ccccc2)C1=O Show InChI InChI=1S/C13H14N2O5/c16-11(8-20-9-4-2-1-3-5-9)14-10-6-15(13(10)19)7-12(17)18/h1-5,10H,6-8H2,(H,14,16)(H,17,18)/t10-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>8.98E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter& Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus				Bioorg Med Chem Lett 11: 2111-5 (2001) BindingDB Entry DOI: 10.7270/Q26H4KKT
					More data for this Ligand-Target Pair