Compile Data Set for Download or QSAR

Found 9 hits of ki data for polymerid = 7076   

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
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM580196 (US11491146, Compound 3) Show SMILES CC(=O)c1cccc(=S)n1O Show InChI	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To identify potential MBL inhibitors, the relative change in the formation of hydrolyzed nitrocefin between treated and untreated VIM2 was determined...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7TB3
					More data for this Ligand-Target Pair
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM580195 (US11491146, Compound 2b) Show SMILES [O-][n+]1ccccc1[S-] Show InChI	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	217	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To identify potential MBL inhibitors, the relative change in the formation of hydrolyzed nitrocefin between treated and untreated VIM2 was determined...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7TB3
					More data for this Ligand-Target Pair
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To identify potential MBL inhibitors, the relative change in the formation of hydrolyzed nitrocefin between treated and untreated VIM2 was determined...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7TB3
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
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
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM50014161 (CHEMBL3260858 | US11491146, Compound 5) Show SMILES OC(=O)[C@H](NC(=O)c1cccc(=S)n1O)c1ccccc1 |r| Show InChI InChI=1S/C14H12N2O4S/c17-13(10-7-4-8-11(21)16(10)20)15-12(14(18)19)9-5-2-1-3-6-9/h1-8,12,20H,(H,15,17)(H,18,19)/t12-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To identify potential MBL inhibitors, the relative change in the formation of hydrolyzed nitrocefin between treated and untreated VIM2 was determined...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7TB3
					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
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM50336508 (CHEMBL1673299 | sodium 2,3-diethylmaleate) Show SMILES CC\C(C([O-])=O)=C(/CC)C([O-])=O Show InChI InChI=1S/C8H12O4/c1-3-5(7(9)10)6(4-2)8(11)12/h3-4H2,1-2H3,(H,9,10)(H,11,12)/p-2/b6-5-	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toho University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta-lactamase VIM-2 assessed as hydrolysis of nitrocefin by UV spectrophotometric analysis				Antimicrob Agents Chemother 54: 3625-9 (2010) Article DOI: 10.1128/AAC.01397-09 BindingDB Entry DOI: 10.7270/Q29C6XQ2
					More data for this Ligand-Target Pair