Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with Target = 'Penicillin-binding protein 1A'   

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
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50422689 (640/359 | CEFUROXIME) Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.36	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50422689 (640/359 | CEFUROXIME) Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.71	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50022787 ((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.98	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50422689 (640/359 | CEFUROXIME) Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.43	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 24 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50422689 (640/359 | CEFUROXIME) Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.43	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50350464 (AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10.9	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 24 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50483324 (CHEBI:51257 | Faropenem) Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50422689 (640/359 | CEFUROXIME) Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	14.1	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50422689 (640/359 | CEFUROXIME) Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	14.1	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50422689 (640/359 | CEFUROXIME) Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	18.9	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50422689 (640/359 | CEFUROXIME) Show SMILES CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1 |r,c:16| Show InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	23.6	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50022787 ((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	23.9	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 24 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50022787 ((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	23.9	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50022787 ((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	26.9	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50022787 ((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	26.9	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Pseudomonas aeruginosa PAO1)	BDBM50012177 (CHEMBL3265226) Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@H](N2C(=O)c3cc(O)c(O)cc3C2=O)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O |r| Show InChI InChI=1S/C25H22N6O14S/c1-24(2,21(39)40)45-29-15(11-7-46-23(26)28-11)16(34)27-10-6-43-31(19(10)37)25(22(41)42)5-12(20(38)44-25)30-17(35)8-3-13(32)14(33)4-9(8)18(30)36/h3-4,7,10,12,32-33H,5-6H2,1-2H3,(H2,26,28)(H,27,34)(H,39,40)(H,41,42)/b29-15-/t10-,12-,25?/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...				J Med Chem 57: 3845-55 (2014) Article DOI: 10.1021/jm500219c BindingDB Entry DOI: 10.7270/Q2SJ1N5R
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50483324 (CHEBI:51257 | Faropenem) Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	31.5	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 24 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50483324 (CHEBI:51257 | Faropenem) Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50022787 ((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	35.9	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Pseudomonas aeruginosa PAO1)	BDBM50012180 (CHEMBL3265224) Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@@H](NC(=O)c2cc(=O)c(O)cn2O)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O |r| Show InChI InChI=1S/C23H23N7O14S/c1-22(2,19(37)38)44-28-14(10-7-45-21(24)27-10)16(34)26-9-6-42-30(17(9)35)23(20(39)40)4-8(18(36)43-23)25-15(33)11-3-12(31)13(32)5-29(11)41/h3,5,7-9,32,41H,4,6H2,1-2H3,(H2,24,27)(H,25,33)(H,26,34)(H,37,38)(H,39,40)/b28-14-/t8-,9+,23?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...				J Med Chem 57: 3845-55 (2014) Article DOI: 10.1021/jm500219c BindingDB Entry DOI: 10.7270/Q2SJ1N5R
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Pseudomonas aeruginosa PAO1)	BDBM50012181 (CHEMBL3265225) Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@H](NC(=O)c2cc(=O)c(O)cn2O)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O |r| Show InChI InChI=1S/C23H23N7O14S/c1-22(2,19(37)38)44-28-14(10-7-45-21(24)27-10)16(34)26-9-6-42-30(17(9)35)23(20(39)40)4-8(18(36)43-23)25-15(33)11-3-12(31)13(32)5-29(11)41/h3,5,7-9,32,41H,4,6H2,1-2H3,(H2,24,27)(H,25,33)(H,26,34)(H,37,38)(H,39,40)/b28-14-/t8-,9-,23?/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...				J Med Chem 57: 3845-55 (2014) Article DOI: 10.1021/jm500219c BindingDB Entry DOI: 10.7270/Q2SJ1N5R
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Pseudomonas aeruginosa PAO1)	BDBM50012178 (CHEMBL3265220) Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(CCC(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O |r| Show InChI InChI=1S/C17H19N5O10S/c1-16(2,13(26)27)32-21-10(8-6-33-15(18)20-8)11(24)19-7-5-30-22(12(7)25)17(14(28)29)4-3-9(23)31-17/h6-7H,3-5H2,1-2H3,(H2,18,20)(H,19,24)(H,26,27)(H,28,29)/b21-10-/t7-,17?/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...				J Med Chem 57: 3845-55 (2014) Article DOI: 10.1021/jm500219c BindingDB Entry DOI: 10.7270/Q2SJ1N5R
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Pseudomonas aeruginosa PAO1)	BDBM50012179 (CHEMBL3265221) Show SMILES Nc1nc(cs1)C(=N\OCc1cc(=O)c(O)cn1O)\C(=O)N[C@H]1CON(C1=O)C1(CCC(=O)O1)C(O)=O |r| Show InChI InChI=1S/C19H18N6O11S/c20-18-22-10(7-37-18)14(23-34-5-8-3-11(26)12(27)4-24(8)33)15(29)21-9-6-35-25(16(9)30)19(17(31)32)2-1-13(28)36-19/h3-4,7,9,27,33H,1-2,5-6H2,(H2,20,22)(H,21,29)(H,31,32)/b23-14-/t9-,19?/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...				J Med Chem 57: 3845-55 (2014) Article DOI: 10.1021/jm500219c BindingDB Entry DOI: 10.7270/Q2SJ1N5R
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50350464 (AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46.5	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50022787 ((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	47.8	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50483324 (CHEBI:51257 | Faropenem) Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	52.6	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50483324 (CHEBI:51257 | Faropenem) Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	52.6	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50483324 (CHEBI:51257 | Faropenem) Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	56.1	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50022787 ((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	59.8	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Pseudomonas aeruginosa PAO1)	BDBM50012182 (CHEMBL3265223) Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@H](NC(=O)OCc2ccccc2)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O |r| Show InChI InChI=1S/C25H26N6O12S/c1-24(2,20(35)36)43-30-16(15-11-44-22(26)28-15)17(32)27-14-10-41-31(18(14)33)25(21(37)38)8-13(19(34)42-25)29-23(39)40-9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H2,26,28)(H,27,32)(H,29,39)(H,35,36)(H,37,38)/b30-16-/t13-,14-,25?/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...				J Med Chem 57: 3845-55 (2014) Article DOI: 10.1021/jm500219c BindingDB Entry DOI: 10.7270/Q2SJ1N5R
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50483324 (CHEBI:51257 | Faropenem) Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	80.6	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	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/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	86.9	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50483324 (CHEBI:51257 | Faropenem) Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	87.6	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50022787 ((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	92.7	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50483324 (CHEBI:51257 | Faropenem) Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3| Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Pseudomonas aeruginosa PAO1)	BDBM50012183 (CHEMBL3265222) Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@@H](NC(=O)OCc2ccccc2)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O |r| Show InChI InChI=1S/C25H26N6O12S/c1-24(2,20(35)36)43-30-16(15-11-44-22(26)28-15)17(32)27-14-10-41-31(18(14)33)25(21(37)38)8-13(19(34)42-25)29-23(39)40-9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H2,26,28)(H,27,32)(H,29,39)(H,35,36)(H,37,38)/b30-16-/t13-,14+,25?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...				J Med Chem 57: 3845-55 (2014) Article DOI: 10.1021/jm500219c BindingDB Entry DOI: 10.7270/Q2SJ1N5R
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50350464 (AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50350464 (AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	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/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50350464 (AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	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/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	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/SwissProt 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
Hershey Medical Center Curated by ChEMBL					Assay Description Binding affinity to against penicillin-susceptible Streptococcus pneumoniae 1076 PBP1A by competitive binding assay				Antimicrob Agents Chemother 54: 1670-7 (2010) Article DOI: 10.1128/AAC.00019-10 BindingDB Entry DOI: 10.7270/Q2B56NK6
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	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/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Binding affinity to penicillin-resistant Streptococcus pneumoniae 24 PBP1A by competitive binding assay				Antimicrob Agents Chemother 54: 1670-7 (2010) Article DOI: 10.1128/AAC.00019-10 BindingDB Entry DOI: 10.7270/Q2B56NK6
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50350464 (AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50482777 (CHEBI:204928 | Cefotaxime) Show SMILES [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O |c:9| Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Binding affinity to against penicillin-susceptible Streptococcus pneumoniae 1076 PBP1A by competitive binding assay				Antimicrob Agents Chemother 54: 1670-7 (2010) Article DOI: 10.1128/AAC.00019-10 BindingDB Entry DOI: 10.7270/Q2B56NK6
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50350464 (AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50482777 (CHEBI:204928 | Cefotaxime) Show SMILES [H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(O)=O |c:9| Show InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	274	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Binding affinity to penicillin-resistant Streptococcus pneumoniae 24 PBP1A by competitive binding assay				Antimicrob Agents Chemother 54: 1670-7 (2010) Article DOI: 10.1128/AAC.00019-10 BindingDB Entry DOI: 10.7270/Q2B56NK6
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	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/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50350464 (AMOXICILLINE | Amoxi-Inject | Amoxi-Tabs | Amoxici...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	339	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP1A				Antimicrob Agents Chemother 53: 2176-80 (2009) Article DOI: 10.1128/AAC.01566-08 BindingDB Entry DOI: 10.7270/Q24B345B
					More data for this Ligand-Target Pair
Penicillin-binding protein 1A (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	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/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	365	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Binding affinity to penicillin-resistant Streptococcus pneumoniae 3413 PBP1A by competitive binding assay				Antimicrob Agents Chemother 54: 1670-7 (2010) Article DOI: 10.1128/AAC.00019-10 BindingDB Entry DOI: 10.7270/Q2B56NK6
					More data for this Ligand-Target Pair

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