Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'bethel' and Initial = 'cr'   

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
Oxa40 (Acinetobacter baumannii)	BDBM227598 (Penem 1) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCn2n1 |r,t:3| Show InChI InChI=1S/C12H9N3O3S2/c16-10-8(11-15(10)9(4-20-11)12(17)18)2-6-1-7-3-19-5-14(7)13-6/h1-2,4,11H,3,5H2,(H,17,18)/p-1/b8-2-/t11-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	150	n/a	n/a	n/a	n/a	7.2	n/a
Case Western Reserve University					Assay Description Steady-state kinetics were performed on an Agilent 8453 diode array spectrophotometer (Palo Alto, CA) in 50 mM sodium phosphate buffer (pH 7.2) suppl...				J Biol Chem 289: 6152-64 (2014) Article DOI: 10.1074/jbc.M113.533562 BindingDB Entry DOI: 10.7270/Q2CN72SC
					More data for this Ligand-Target Pair
Beta-lactamase OXA-1 (Escherichia coli (Enterobacteria))	BDBM227598 (Penem 1) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCn2n1 |r,t:3| Show InChI InChI=1S/C12H9N3O3S2/c16-10-8(11-15(10)9(4-20-11)12(17)18)2-6-1-7-3-19-5-14(7)13-6/h1-2,4,11H,3,5H2,(H,17,18)/p-1/b8-2-/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	30	n/a	n/a	n/a	n/a	7.2	n/a
Case Western Reserve University					Assay Description Steady-state kinetics were performed on an Agilent 8453 diode array spectrophotometer (Palo Alto, CA) in 50 mM sodium phosphate buffer (pH 7.2) suppl...				J Biol Chem 289: 6152-64 (2014) Article DOI: 10.1074/jbc.M113.533562 BindingDB Entry DOI: 10.7270/Q2CN72SC
					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM227599 (Penem 3) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCOCc2n1 |r,t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b8-3-/t12-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	160	n/a	n/a	n/a	n/a	7.2	n/a
Case Western Reserve University					Assay Description Steady-state kinetics were performed on an Agilent 8453 diode array spectrophotometer (Palo Alto, CA) in 50 mM sodium phosphate buffer (pH 7.2) suppl...				J Biol Chem 289: 6152-64 (2014) Article DOI: 10.1074/jbc.M113.533562 BindingDB Entry DOI: 10.7270/Q2CN72SC
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	220	n/a	30	n/a	n/a	n/a	n/a	7.4	n/a
Case Western Reserve University					Assay Description Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4). IC50, defined as t...				Biochemistry 54: 734-43 (2015) Article DOI: 10.1021/bi501197t BindingDB Entry DOI: 10.7270/Q2736PNW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase OXA-1 (Escherichia coli (Enterobacteria))	BDBM227599 (Penem 3) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCOCc2n1 |r,t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b8-3-/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	380	n/a	60	n/a	n/a	n/a	n/a	7.2	n/a
Case Western Reserve University					Assay Description Steady-state kinetics were performed on an Agilent 8453 diode array spectrophotometer (Palo Alto, CA) in 50 mM sodium phosphate buffer (pH 7.2) suppl...				J Biol Chem 289: 6152-64 (2014) Article DOI: 10.1074/jbc.M113.533562 BindingDB Entry DOI: 10.7270/Q2CN72SC
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM152696 (PSR-3-283A) Show SMILES [H][C@@]12[C@H](CO)C(=O)N1[C@@H](C([O-])=O)C(C)(C)S2(=O)=O |r,@@:12| Show InChI InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/p-1/t4-,5+,7-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	560	n/a	320	n/a	n/a	n/a	n/a	7.4	n/a
Case Western Reserve University					Assay Description Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4). IC50, defined as t...				Biochemistry 54: 734-43 (2015) Article DOI: 10.1021/bi501197t BindingDB Entry DOI: 10.7270/Q2736PNW
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.50E+3	n/a	3.40E+3	n/a	n/a	n/a	n/a	7.4	n/a
Case Western Reserve University					Assay Description Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4). IC50, defined as t...				Biochemistry 54: 734-43 (2015) Article DOI: 10.1021/bi501197t BindingDB Entry DOI: 10.7270/Q2736PNW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50021959 (CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...) Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.00E+3	n/a	100	n/a	n/a	n/a	n/a	7.4	n/a
Case Western Reserve University					Assay Description Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4). IC50, defined as t...				Biochemistry 54: 734-43 (2015) Article DOI: 10.1021/bi501197t BindingDB Entry DOI: 10.7270/Q2736PNW
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50370963 (CEFTAZIDIME BATSI) Show SMILES CC(C)(O\N=C(/C(=O)NCB(O)O)c1csc(N)n1)C(O)=O Show InChI InChI=1S/C10H15BN4O6S/c1-10(2,8(17)18)21-15-6(5-3-22-9(12)14-5)7(16)13-4-11(19)20/h3,19-20H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)/b15-6-	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Binding affinity at Beta-lactamase SHV1 expressed in Escherichia coli DH10B cells				Antimicrob Agents Chemother 51: 1577-9 (2007) Article DOI: 10.1128/AAC.01293-06 BindingDB Entry DOI: 10.7270/Q2WW7JG6
					More data for this Ligand-Target Pair
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM153698 (L-CS319) Show SMILES OC(=O)[C@@H]1CS[C@H]2CS[C@H](CS)N12 |r| Show InChI InChI=1S/C7H11NO2S3/c9-7(10)4-2-12-6-3-13-5(1-11)8(4)6/h4-6,11H,1-3H2,(H,9,10)/t4-,5+,6-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Louis Stokes Cleveland Veterans Affairs Medical Center					Assay Description The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc...				Biochemistry 54: 3183-96 (2015) Article DOI: 10.1021/acs.biochem.5b00106 BindingDB Entry DOI: 10.7270/Q2513WZZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM153700 (L-VC26) Show SMILES CC1(C)S[C@H]2CS[C@H](CS)N2[C@@H]1C(O)=O |r| Show InChI InChI=1S/C9H15NO2S3/c1-9(2)7(8(11)12)10-5(3-13)14-4-6(10)15-9/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Louis Stokes Cleveland Veterans Affairs Medical Center					Assay Description The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc...				Biochemistry 54: 3183-96 (2015) Article DOI: 10.1021/acs.biochem.5b00106 BindingDB Entry DOI: 10.7270/Q2513WZZ
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50370963 (CEFTAZIDIME BATSI) Show SMILES CC(C)(O\N=C(/C(=O)NCB(O)O)c1csc(N)n1)C(O)=O Show InChI InChI=1S/C10H15BN4O6S/c1-10(2,8(17)18)21-15-6(5-3-22-9(12)14-5)7(16)13-4-11(19)20/h3,19-20H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)/b15-6-	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Binding affinity at Beta-lactamase SHV5 expressed in Escherichia coli DH10B cells				Antimicrob Agents Chemother 51: 1577-9 (2007) Article DOI: 10.1128/AAC.01293-06 BindingDB Entry DOI: 10.7270/Q2WW7JG6
					More data for this Ligand-Target Pair
VIM-24 (Klebsiella pneumoniae (Enterobacteria))	BDBM153700 (L-VC26) Show SMILES CC1(C)S[C@H]2CS[C@H](CS)N2[C@@H]1C(O)=O |r| Show InChI InChI=1S/C9H15NO2S3/c1-9(2)7(8(11)12)10-5(3-13)14-4-6(10)15-9/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7-/m1/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Louis Stokes Cleveland Veterans Affairs Medical Center					Assay Description The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc...				Biochemistry 54: 3183-96 (2015) Article DOI: 10.1021/acs.biochem.5b00106 BindingDB Entry DOI: 10.7270/Q2513WZZ
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50202234 ((Z)-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)aceta...) Show SMILES CO\N=C(/C(=O)NCB(O)O)c1csc(N)n1 Show InChI InChI=1S/C7H11BN4O4S/c1-16-12-5(4-2-17-7(9)11-4)6(13)10-3-8(14)15/h2,14-15H,3H2,1H3,(H2,9,11)(H,10,13)/b12-5-	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Binding affinity at Beta-lactamase SHV5 expressed in Escherichia coli DH10B cells				Antimicrob Agents Chemother 51: 1577-9 (2007) Article DOI: 10.1128/AAC.01293-06 BindingDB Entry DOI: 10.7270/Q2WW7JG6
					More data for this Ligand-Target Pair
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM153699 (D-CS319) Show SMILES OC(=O)[C@H]1CS[C@@H]2CS[C@@H](CS)N12 |r| Show InChI InChI=1S/C7H11NO2S3/c9-7(10)4-2-12-6-3-13-5(1-11)8(4)6/h4-6,11H,1-3H2,(H,9,10)/t4-,5+,6-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Louis Stokes Cleveland Veterans Affairs Medical Center					Assay Description The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc...				Biochemistry 54: 3183-96 (2015) Article DOI: 10.1021/acs.biochem.5b00106 BindingDB Entry DOI: 10.7270/Q2513WZZ
					More data for this Ligand-Target Pair
VIM-24 (Klebsiella pneumoniae (Enterobacteria))	BDBM153698 (L-CS319) Show SMILES OC(=O)[C@@H]1CS[C@H]2CS[C@H](CS)N12 |r| Show InChI InChI=1S/C7H11NO2S3/c9-7(10)4-2-12-6-3-13-5(1-11)8(4)6/h4-6,11H,1-3H2,(H,9,10)/t4-,5+,6-/m0/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Louis Stokes Cleveland Veterans Affairs Medical Center					Assay Description The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc...				Biochemistry 54: 3183-96 (2015) Article DOI: 10.1021/acs.biochem.5b00106 BindingDB Entry DOI: 10.7270/Q2513WZZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50202234 ((Z)-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)aceta...) Show SMILES CO\N=C(/C(=O)NCB(O)O)c1csc(N)n1 Show InChI InChI=1S/C7H11BN4O4S/c1-16-12-5(4-2-17-7(9)11-4)6(13)10-3-8(14)15/h2,14-15H,3H2,1H3,(H2,9,11)(H,10,13)/b12-5-	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Binding affinity at Beta-lactamase SHV1 expressed in Escherichia coli DH10B cells				Antimicrob Agents Chemother 51: 1577-9 (2007) Article DOI: 10.1128/AAC.01293-06 BindingDB Entry DOI: 10.7270/Q2WW7JG6
					More data for this Ligand-Target Pair
VIM-24 (Klebsiella pneumoniae (Enterobacteria))	BDBM153699 (D-CS319) Show SMILES OC(=O)[C@H]1CS[C@@H]2CS[C@@H](CS)N12 |r| Show InChI InChI=1S/C7H11NO2S3/c9-7(10)4-2-12-6-3-13-5(1-11)8(4)6/h4-6,11H,1-3H2,(H,9,10)/t4-,5+,6-/m1/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Louis Stokes Cleveland Veterans Affairs Medical Center					Assay Description The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc...				Biochemistry 54: 3183-96 (2015) Article DOI: 10.1021/acs.biochem.5b00106 BindingDB Entry DOI: 10.7270/Q2513WZZ
					More data for this Ligand-Target Pair
VIM-24 (Klebsiella pneumoniae (Enterobacteria))	BDBM153701 (D-VC26) Show SMILES CC1(C)S[C@@H]2CS[C@@H](CS)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C9H15NO2S3/c1-9(2)7(8(11)12)10-5(3-13)14-4-6(10)15-9/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7-/m0/s1	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Louis Stokes Cleveland Veterans Affairs Medical Center					Assay Description The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc...				Biochemistry 54: 3183-96 (2015) Article DOI: 10.1021/acs.biochem.5b00106 BindingDB Entry DOI: 10.7270/Q2513WZZ
					More data for this Ligand-Target Pair
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM153701 (D-VC26) Show SMILES CC1(C)S[C@@H]2CS[C@@H](CS)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C9H15NO2S3/c1-9(2)7(8(11)12)10-5(3-13)14-4-6(10)15-9/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Louis Stokes Cleveland Veterans Affairs Medical Center					Assay Description The Ki for each inhibitor was determined by direct competition assays under steady-state conditions. The initial velocity was measured in the presenc...				Biochemistry 54: 3183-96 (2015) Article DOI: 10.1021/acs.biochem.5b00106 BindingDB Entry DOI: 10.7270/Q2513WZZ
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50202233 (Acylglycineboronic acid, 5 | CHEMBL227673 | acetam...) Show SMILES CC(=O)NCB(O)O Show InChI InChI=1S/C3H8BNO3/c1-3(6)5-2-4(7)8/h7-8H,2H2,1H3,(H,5,6)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Binding affinity at Beta-lactamase SHV1 expressed in Escherichia coli DH10B cells				Antimicrob Agents Chemother 51: 1577-9 (2007) Article DOI: 10.1128/AAC.01293-06 BindingDB Entry DOI: 10.7270/Q2WW7JG6
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50202233 (Acylglycineboronic acid, 5 | CHEMBL227673 | acetam...) Show SMILES CC(=O)NCB(O)O Show InChI InChI=1S/C3H8BNO3/c1-3(6)5-2-4(7)8/h7-8H,2H2,1H3,(H,5,6)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Binding affinity at Beta-lactamase SHV5 expressed in Escherichia coli DH10B cells				Antimicrob Agents Chemother 51: 1577-9 (2007) Article DOI: 10.1128/AAC.01293-06 BindingDB Entry DOI: 10.7270/Q2WW7JG6
					More data for this Ligand-Target Pair
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM50240870 (CHEMBL4068259) Show SMILES Nc1cccc(c1)-c1cc(nc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C13H10N2O4/c14-9-3-1-2-7(4-9)8-5-10(12(16)17)15-11(6-8)13(18)19/h1-6H,14H2,(H,16,17)(H,18,19)	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 60: 7267-7283 (2017) Article DOI: 10.1021/acs.jmedchem.7b00407 BindingDB Entry DOI: 10.7270/Q2P27185
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50240870 (CHEMBL4068259) Show SMILES Nc1cccc(c1)-c1cc(nc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C13H10N2O4/c14-9-3-1-2-7(4-9)8-5-10(12(16)17)15-11(6-8)13(18)19/h1-6H,14H2,(H,16,17)(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Inhibition of Serratia marcescens IMP1 expressed in Escherichia coli BL21(DE3) using chromacef as substrate preincubated for 10 mins followed by subs...				J Med Chem 60: 7267-7283 (2017) Article DOI: 10.1021/acs.jmedchem.7b00407 BindingDB Entry DOI: 10.7270/Q2P27185
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Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM26116 (CHEMBL284104 | Dipicolinate | pyridine carboxylate...) Show SMILES OC(=O)c1cccc(n1)C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa VIM2 expressed in Escherichia coli BL21(DE3) using chromacef as substrate preincubated for 10 mins followed by s...				J Med Chem 60: 7267-7283 (2017) Article DOI: 10.1021/acs.jmedchem.7b00407 BindingDB Entry DOI: 10.7270/Q2P27185
					More data for this Ligand-Target Pair
Peptidoglycan D,D-transpeptidase FtsI (Pseudomonas aeruginosa)	BDBM50538667 (CHEMBL4634190) Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CN2CC(C(=O)NCCN3C(=O)c4cc(O)c(O)cc4C3=O)=C(N2C1=O)C(O)=O)c1csc(N)n1)C(O)=O |r,c:33| Show InChI InChI=1S/C27H26N8O12S/c1-27(2,25(45)46)47-32-17(14-9-48-26(28)31-14)20(39)30-13-8-33-7-12(18(24(43)44)35(33)23(13)42)19(38)29-3-4-34-21(40)10-5-15(36)16(37)6-11(10)22(34)41/h5-6,9,13,36-37H,3-4,7-8H2,1-2H3,(H2,28,31)(H,29,38)(H,30,39)(H,43,44)(H,45,46)/b32-17-/t13-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Pseudomonas aeruginosa PBP3 assessed as reduction in fluorescence intensity using Bocillin-protein as fluorescent substrate preincubate...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113436 BindingDB Entry DOI: 10.7270/Q2X92G5W
					More data for this Ligand-Target Pair
Peptidoglycan D,D-transpeptidase FtsI (Pseudomonas aeruginosa)	BDBM50538667 (CHEMBL4634190) Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CN2CC(C(=O)NCCN3C(=O)c4cc(O)c(O)cc4C3=O)=C(N2C1=O)C(O)=O)c1csc(N)n1)C(O)=O |r,c:33| Show InChI InChI=1S/C27H26N8O12S/c1-27(2,25(45)46)47-32-17(14-9-48-26(28)31-14)20(39)30-13-8-33-7-12(18(24(43)44)35(33)23(13)42)19(38)29-3-4-34-21(40)10-5-15(36)16(37)6-11(10)22(34)41/h5-6,9,13,36-37H,3-4,7-8H2,1-2H3,(H2,28,31)(H,29,38)(H,30,39)(H,43,44)(H,45,46)/b32-17-/t13-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Louis Stokes Cleveland Department of Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PBP3 assessed as reduction in fluorescence intensity of bocillin labeled protein pre-incubated for 20 mins befor...				J Med Chem 63: 5990-6002 (2020) Article DOI: 10.1021/acs.jmedchem.0c00255 BindingDB Entry DOI: 10.7270/Q25142S5
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM26116 (CHEMBL284104 | Dipicolinate | pyridine carboxylate...) Show SMILES OC(=O)c1cccc(n1)C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 60: 7267-7283 (2017) Article DOI: 10.1021/acs.jmedchem.7b00407 BindingDB Entry DOI: 10.7270/Q2P27185
					More data for this Ligand-Target Pair
Peptidoglycan D,D-transpeptidase FtsI (Pseudomonas aeruginosa)	BDBM50578473 (CHEMBL4872152) Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CN2CC(C(=O)NCCN3C(=O)c4cc(O)c(O)cc4C3=O)=C(N2C1=O)C(O)=O)c1nc(N)sc1Cl)C(O)=O |r,c:33| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Pseudomonas aeruginosa PBP3 assessed as reduction in fluorescence intensity using Bocillin-protein as fluorescent substrate preincubate...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113436 BindingDB Entry DOI: 10.7270/Q2X92G5W
					More data for this Ligand-Target Pair