Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50004132   

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
Peptidoglycan D,D-transpeptidase MrdA (Escherichia coli)	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	Article PubMed	n/a	n/a	33.4	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 Escherichia coli MC4100 penicillin-binding protein 2				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
Peptidoglycan D,D-transpeptidase FtsI (Pseudomonas aeruginosa)	BDBM50240480 ((2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-...) Show SMILES C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O |r| Show InChI InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	68.9	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 Pseudomonas aeruginosa PAO1 penicillin-binding protein 3				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
Penicillin-binding protein 3 (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	93.5	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 3				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
Penicillin-binding protein 2 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	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 2				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
Peptidoglycan D,D-transpeptidase FtsI (Pseudomonas aeruginosa)	BDBM50420259 (CEFTAZIDIME) Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[n+]3ccccc3)=C(N2C1=O)C([O-])=O)c1csc(N)n1)C(O)=O |r,c:21| Show InChI InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	182	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 Pseudomonas aeruginosa PAO1 penicillin-binding protein 3				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
Peptidoglycan D,D-transpeptidase FtsI (Pseudomonas aeruginosa)	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 Pseudomonas aeruginosa PAO1 penicillin-binding protein 3				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)	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
Peptidoglycan D,D-transpeptidase FtsI (Pseudomonas aeruginosa)	BDBM50350470 (CEFEPIME | Maxipime) Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+]3(C)CCCC3)=C(N2C1=O)C([O-])=O)c1csc(N)n1 |r,c:19| Show InChI InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	208	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 Pseudomonas aeruginosa PAO1 penicillin-binding protein 3				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
Peptidoglycan D,D-transpeptidase FtsI (Pseudomonas aeruginosa)	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	Article PubMed	n/a	n/a	334	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 Pseudomonas aeruginosa PAO1 penicillin-binding protein 3				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
Peptidoglycan D,D-transpeptidase MrdA (Pseudomonas aeruginosa)	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	Article PubMed	n/a	n/a	334	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 Pseudomonas aeruginosa PAO1 penicillin-binding protein 2				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
Peptidoglycan D,D-transpeptidase MrdA (Escherichia coli)	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	360	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 Escherichia coli MC4100 penicillin-binding protein 2				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
Peptidoglycan D,D-transpeptidase MrdA (Escherichia coli)	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	374	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 Escherichia coli MC4100 penicillin-binding protein 2				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
Penicillin-binding protein 1B (Pseudomonas aeruginosa)	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	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	935	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 Pseudomonas aeruginosa PAO1 penicillin-binding protein 1b				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
Penicillin-binding protein 2 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	935	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 2				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
Peptidoglycan D,D-transpeptidase MrdA (Escherichia coli)	BDBM50350470 (CEFEPIME | Maxipime) Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+]3(C)CCCC3)=C(N2C1=O)C([O-])=O)c1csc(N)n1 |r,c:19| Show InChI InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.24E+3	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 Escherichia coli MC4100 penicillin-binding protein 2				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
Penicillin-binding protein 1B (Pseudomonas aeruginosa)	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	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.67E+3	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 Pseudomonas aeruginosa PAO1 penicillin-binding protein 1b				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
Peptidase (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 MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+3	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-resistant Staphylococcus aureus OC 3726 penicillin-binding protein 2a				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
Penicillin-binding protein 3 (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	1.80E+3	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 3				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
Penicillin-binding protein 4 (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 MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.87E+3	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 4				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
Penicillin-binding protein 1B (Pseudomonas aeruginosa)	BDBM50350470 (CEFEPIME | Maxipime) Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+]3(C)CCCC3)=C(N2C1=O)C([O-])=O)c1csc(N)n1 |r,c:19| Show InChI InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.16E+3	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 Pseudomonas aeruginosa PAO1 penicillin-binding protein 1b				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
Penicillin-binding protein 1B (Pseudomonas aeruginosa)	BDBM50240480 ((2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-...) Show SMILES C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O |r| Show InChI InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.59E+3	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 Pseudomonas aeruginosa PAO1 penicillin-binding protein 1b				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
Peptidoglycan D,D-transpeptidase MrdA (Pseudomonas aeruginosa)	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	5.61E+3	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 Pseudomonas aeruginosa PAO1 penicillin-binding protein 2				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
Peptidoglycan D,D-transpeptidase MrdA (Escherichia coli)	BDBM50420259 (CEFTAZIDIME) Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[n+]3ccccc3)=C(N2C1=O)C([O-])=O)c1csc(N)n1)C(O)=O |r,c:21| Show InChI InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.31E+3	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 Escherichia coli MC4100 penicillin-binding protein 2				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
Penicillin-binding protein 1B (Pseudomonas aeruginosa)	BDBM50420259 (CEFTAZIDIME) Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[n+]3ccccc3)=C(N2C1=O)C([O-])=O)c1csc(N)n1)C(O)=O |r,c:21| Show InChI InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.14E+3	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 Pseudomonas aeruginosa PAO1 penicillin-binding protein 1b				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
Peptidoglycan D,D-transpeptidase MrdA (Pseudomonas aeruginosa)	BDBM50350470 (CEFEPIME | Maxipime) Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+]3(C)CCCC3)=C(N2C1=O)C([O-])=O)c1csc(N)n1 |r,c:19| Show InChI InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.66E+4	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 Pseudomonas aeruginosa PAO1 penicillin-binding protein 2				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
Penicillin-binding protein 4 (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 MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	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 4				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
Peptidoglycan D,D-transpeptidase MrdA (Escherichia coli)	BDBM50240480 ((2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-...) Show SMILES C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O |r| Show InChI InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.83E+4	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 Escherichia coli MC4100 penicillin-binding protein 2				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
Peptidoglycan D,D-transpeptidase MrdA (Pseudomonas aeruginosa)	BDBM50240480 ((2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-...) Show SMILES C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O |r| Show InChI InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.67E+4	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 Pseudomonas aeruginosa PAO1 penicillin-binding protein 2				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
Peptidoglycan D,D-transpeptidase MrdA (Pseudomonas aeruginosa)	BDBM50420259 (CEFTAZIDIME) Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[n+]3ccccc3)=C(N2C1=O)C([O-])=O)c1csc(N)n1)C(O)=O |r,c:21| Show InChI InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.85E+4	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 Pseudomonas aeruginosa PAO1 penicillin-binding protein 2				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
Peptidase (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 MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>9.01E+4	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-resistant Staphylococcus aureus OC 3726 penicillin-binding protein 2a				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
Peptidase (Staphylococcus aureus)	BDBM50420259 (CEFTAZIDIME) Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[n+]3ccccc3)=C(N2C1=O)C([O-])=O)c1csc(N)n1)C(O)=O |r,c:21| Show InChI InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>9.14E+4	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-resistant Staphylococcus aureus OC 3726 penicillin-binding protein 2a				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