Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Peptidase' and Ligand = 'BDBM50022787'   

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
Peptidase (Staphylococcus aureus)	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 MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Binding affinity to methicillin-, linezolid-resistant, vancomycin-intermediate, beta-lactamase-positive Staphylococcus aureus 2149A PBP2a by competit...				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
Peptidase (Staphylococcus aureus)	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 MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Binding affinity to against methicillin-, daptomycin-resistant, vancomycin-intermediate, beta-lactamase-positive Staphylococcus aureus 25 PBP2a by co...				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
Peptidase (Staphylococcus aureus)	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 MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Binding affinity to methicillin-resistant, vancomycin-intermediate, beta-lactamase-positive Staphylococcus aureus 1287 PBP2a by competitive binding a...				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
Peptidase (Staphylococcus aureus)	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 MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.91E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Binding affinity to methicillin-, vancomycin-resistant, beta-lactamase-positive Staphylococcus aureus 510 PBP2a 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
Peptidase (Staphylococcus aureus)	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 MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.91E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hershey Medical Center Curated by ChEMBL					Assay Description Binding affinity to methicillin-resistant, heteroresistant vancomycin-intermediate, beta-lactamase-negative Staphylococcus aureus 873 PBP2a by compet...				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