Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Penicillin-binding protein 1A' and Ligand = 'BDBM50350464'   

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...)	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...)	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...)	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...)	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...)	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...)	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...)	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...)	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	1.15E+3	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