Compile Data Set for Download or QSAR

Found 13 hits of koff data for polymerid = 4401,50000333,50002394,50003935,50004196,50004283,50004389,50004529,50004587,50004599   

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
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50408523 (CHEMBL2079714) Show SMILES [NH-]C(=O)c1ccc[n+](CC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)c1 Show InChI InChI=1S/C13H14N4O6S/c14-12(19)8-2-1-4-15(6-8)7-10(18)16-5-3-9-11(16)13(20)17(9)24(21,22)23/h1-2,4,6,9,11H,3,5,7H2,(H2-,14,19,21,22,23)/p-1/t9-,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.00000900	0.900	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Deacylation of 18SH Beta-lactamase of Pseudomonas aeruginosa				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50408523 (CHEMBL2079714) Show SMILES [NH-]C(=O)c1ccc[n+](CC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)c1 Show InChI InChI=1S/C13H14N4O6S/c14-12(19)8-2-1-4-15(6-8)7-10(18)16-5-3-9-11(16)13(20)17(9)24(21,22)23/h1-2,4,6,9,11H,3,5,7H2,(H2-,14,19,21,22,23)/p-1/t9-,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.00000900	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Time taken for deacylation of Pseudomonas aeruginosa 18SH Beta-lactamase				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067065 (CHEMBL130854 | Sodium; (1S,5R)-2-[2-amino-2-(4-hyd...) Show SMILES NC(C(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O)c1ccc(O)cc1 Show InChI InChI=1S/C13H15N3O6S/c14-10(7-1-3-8(17)4-2-7)12(18)15-6-5-9-11(15)13(19)16(9)23(20,21)22/h1-4,9-11,17H,5-6,14H2,(H,20,21,22)/p-1/t9-,10?,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	<0.0000100	2.70	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Deacylation of 18SH Beta-lactamase of Pseudomonas aeruginosa				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067065 (CHEMBL130854 | Sodium; (1S,5R)-2-[2-amino-2-(4-hyd...) Show SMILES NC(C(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O)c1ccc(O)cc1 Show InChI InChI=1S/C13H15N3O6S/c14-10(7-1-3-8(17)4-2-7)12(18)15-6-5-9-11(15)13(19)16(9)23(20,21)22/h1-4,9-11,17H,5-6,14H2,(H,20,21,22)/p-1/t9-,10?,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	<0.0000100	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Deacylation of 18SH Beta-lactamase of Pseudomonas aeruginosa				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067060 (CHEMBL128523 | Sodium; (1S,5R)-2-tert-butoxycarbon...) Show SMILES CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O Show InChI InChI=1S/C10H16N2O6S/c1-10(2,3)18-9(14)11-5-4-6-7(11)8(13)12(6)19(15,16)17/h6-7H,4-5H2,1-3H3,(H,15,16,17)/p-1/t6-,7+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.0000370	11	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Deacylation of 18SH Beta-lactamase of Pseudomonas aeruginosa				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067060 (CHEMBL128523 | Sodium; (1S,5R)-2-tert-butoxycarbon...) Show SMILES CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O Show InChI InChI=1S/C10H16N2O6S/c1-10(2,3)18-9(14)11-5-4-6-7(11)8(13)12(6)19(15,16)17/h6-7H,4-5H2,1-3H3,(H,15,16,17)/p-1/t6-,7+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.0000370	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Deacylation of 18SH Beta-lactamase of Pseudomonas aeruginosa				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067066 (CHEMBL340707 | Sodium; (1S,4R,5S)-2-benzyloxycarbo...) Show SMILES Cn1nnnc1S[C@@H]1CN([C@H]2[C@@H]1N(C2=O)S([O-])(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C15H16N6O6S2/c1-19-14(16-17-18-19)28-10-7-20(12-11(10)21(13(12)22)29(24,25)26)15(23)27-8-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3,(H,24,25,26)/p-1/t10-,11-,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.0000410	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Deacylation of 18SH Beta-lactamase of Pseudomonas aeruginosa				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067056 (CHEMBL338351 | Sodium; (1S,5R)-2-(4-hydroxy-phenyl...) Show SMILES Oc1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1 Show InChI InChI=1S/C12H13N3O6S/c16-8-3-1-7(2-4-8)13-12(18)14-6-5-9-10(14)11(17)15(9)22(19,20)21/h1-4,9-10,16H,5-6H2,(H,13,18)(H,19,20,21)/p-1/t9-,10+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.0000530	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Deacylation of 18SH Beta-lactamase of Pseudomonas aeruginosa				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067062 (CHEMBL415234 | Sodium; (1S,6R)-2-tert-butoxycarbon...) Show SMILES CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O Show InChI InChI=1S/C11H18N2O6S/c1-11(2,3)19-10(15)12-6-4-5-7-8(12)9(14)13(7)20(16,17)18/h7-8H,4-6H2,1-3H3,(H,16,17,18)/p-1/t7-,8+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.000700	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Deacylation of 18SH Beta-lactamase of Pseudomonas aeruginosa				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067062 (CHEMBL415234 | Sodium; (1S,6R)-2-tert-butoxycarbon...) Show SMILES CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O Show InChI InChI=1S/C11H18N2O6S/c1-11(2,3)19-10(15)12-6-4-5-7-8(12)9(14)13(7)20(16,17)18/h7-8H,4-6H2,1-3H3,(H,16,17,18)/p-1/t7-,8+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.000700	0.5	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Deacylation of 18SH Beta-lactamase of Pseudomonas aeruginosa				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067050 (CHEMBL336630 | Sodium; (1S,5R)-7-oxo-2-(piperidin-...) Show SMILES [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCNCC1 Show InChI InChI=1S/C11H18N4O5S/c16-10-9-8(15(10)21(18,19)20)3-6-14(9)11(17)13-7-1-4-12-5-2-7/h7-9,12H,1-6H2,(H,13,17)(H,18,19,20)/p-1/t8-,9+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.00120	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Deacylation of 18SH Beta-lactamase of Pseudomonas aeruginosa				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067050 (CHEMBL336630 | Sodium; (1S,5R)-7-oxo-2-(piperidin-...) Show SMILES [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCNCC1 Show InChI InChI=1S/C11H18N4O5S/c16-10-9-8(15(10)21(18,19)20)3-6-14(9)11(17)13-7-1-4-12-5-2-7/h7-9,12H,1-6H2,(H,13,17)(H,18,19,20)/p-1/t8-,9+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.00120	1.5	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Deacylation of 18SH Beta-lactamase of Pseudomonas aeruginosa				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM50129062 (CHEBI:43968 | ICI-194660 | Meropenem | Merrem | Me...) Show SMILES [H][C@]1([C@@H](C)O)C(=O)N2C(C(O)=O)=C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)[C@H](C)[C@]12[H] |r,t:11| Show InChI InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.346	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Binding affinity to native signal deficient and TEV cleavage site containing His-tagged Klebsiella pneumoniae OXA-48 expressed in Escherichia coli as...				J Med Chem 59: 5542-54 (2016) Article DOI: 10.1021/acs.jmedchem.6b00660 BindingDB Entry DOI: 10.7270/Q2NP26CK
					More data for this Ligand-Target Pair