Compile Data Set for Download or QSAR

Found 21 hits of kon 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 (Enterobacter cloacae)	BDBM50222459 (CHEMBL140766) Show SMILES CC(C)C1CN(C(=O)c2ccccc2)S1(=O)=O Show InChI InChI=1S/C12H15NO3S/c1-9(2)11-8-13(17(11,15)16)12(14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	n/a	n/a	0.0700	7.0	n/a
The University of Huddersfield Curated by ChEMBL					Assay Description Inhibitor activity against Beta-lactamase, derived from the Gram negative bacteria Enterobacter cloacae at pH 7				Bioorg Med Chem Lett 13: 4489-92 (2003) BindingDB Entry DOI: 10.7270/Q2FQ9ZTN
					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	n/a	0.400	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Acylation 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))	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	n/a	0.5	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Acylation 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))	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))	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	n/a	0.900	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Acylation 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))	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 (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	n/a	1.5	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Acylation 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	n/a	2.70	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Acylation 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))	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	n/a	3.80	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Acylation 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))	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	n/a	11	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Acylation 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 (Enterobacter cloacae)	BDBM50537179 (CHEMBL4593963) Show SMILES OC(=O)C(F)(F)F.NC(=O)CCCCOC(=O)NOC(=O)Oc1ccccc1 Show InChI InChI=1S/C13H16N2O6/c14-11(16)8-4-5-9-19-12(17)15-21-13(18)20-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,14,16)(H,15,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	20	n/a	n/a
Wesleyan University Curated by ChEMBL					Assay Description Irreversible inhibition of Enterobacter cloacae P99 beta-lactamase using cephalothin as substrate by spectrophotometric analysis				Bioorg Med Chem 27: 1430-1436 (2019) Article DOI: 10.1016/j.bmc.2019.02.023 BindingDB Entry DOI: 10.7270/Q2MK6HFC
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50222458 (CHEMBL341708) Show SMILES O=C(N1CCS1(=O)=O)c1ccccc1 Show InChI InChI=1S/C9H9NO3S/c11-9(8-4-2-1-3-5-8)10-6-7-14(10,12)13/h1-5H,6-7H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	n/a	n/a	163	7.0	n/a
The University of Huddersfield Curated by ChEMBL					Assay Description Inhibitor activity against Beta-lactamase, derived from the Gram negative bacteria Enterobacter cloacae at pH 7				Bioorg Med Chem Lett 13: 4489-92 (2003) BindingDB Entry DOI: 10.7270/Q2FQ9ZTN
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50537175 (CHEMBL4520276) Show SMILES N[C@H](Cc1ccc(OC(=O)NOC(=O)Oc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C17H16N2O7/c18-14(15(20)21)10-11-6-8-13(9-7-11)24-16(22)19-26-17(23)25-12-4-2-1-3-5-12/h1-9,14H,10,18H2,(H,19,22)(H,20,21)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	180	n/a	n/a
Wesleyan University Curated by ChEMBL					Assay Description Irreversible inhibition of Enterobacter cloacae P99 beta-lactamase using cephalothin as substrate by spectrophotometric analysis				Bioorg Med Chem 27: 1430-1436 (2019) Article DOI: 10.1016/j.bmc.2019.02.023 BindingDB Entry DOI: 10.7270/Q2MK6HFC
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50537177 (CHEMBL4583358) Show SMILES CCCCOC(=O)NOC(=O)Oc1ccccc1 Show InChI InChI=1S/C12H15NO5/c1-2-3-9-16-11(14)13-18-12(15)17-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a
Wesleyan University Curated by ChEMBL					Assay Description Irreversible inhibition of Enterobacter cloacae P99 beta-lactamase using cephalothin as substrate by spectrophotometric analysis				Bioorg Med Chem 27: 1430-1436 (2019) Article DOI: 10.1016/j.bmc.2019.02.023 BindingDB Entry DOI: 10.7270/Q2MK6HFC
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50537174 (CHEMBL4514634) Show SMILES O=C(NOC(=O)Oc1ccccc1)OCCc1ccccc1 Show InChI InChI=1S/C16H15NO5/c18-15(20-12-11-13-7-3-1-4-8-13)17-22-16(19)21-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a
Wesleyan University Curated by ChEMBL					Assay Description Irreversible inhibition of Enterobacter cloacae P99 beta-lactamase using cephalothin as substrate by spectrophotometric analysis				Bioorg Med Chem 27: 1430-1436 (2019) Article DOI: 10.1016/j.bmc.2019.02.023 BindingDB Entry DOI: 10.7270/Q2MK6HFC
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50537173 (CHEMBL4582529) Show SMILES O=C(NOC(=O)Oc1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C15H13NO5/c17-14(19-11-12-7-3-1-4-8-12)16-21-15(18)20-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a
Wesleyan University Curated by ChEMBL					Assay Description Irreversible inhibition of Enterobacter cloacae P99 beta-lactamase using cephalothin as substrate by spectrophotometric analysis				Bioorg Med Chem 27: 1430-1436 (2019) Article DOI: 10.1016/j.bmc.2019.02.023 BindingDB Entry DOI: 10.7270/Q2MK6HFC
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50537178 (CHEMBL4594060) Show SMILES OC(=O)CCCCOC(=O)NOC(=O)Oc1ccccc1 Show InChI InChI=1S/C13H15NO7/c15-11(16)8-4-5-9-19-12(17)14-21-13(18)20-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,17)(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	8.50E+3	n/a	n/a
Wesleyan University Curated by ChEMBL					Assay Description Irreversible inhibition of Enterobacter cloacae P99 beta-lactamase using cephalothin as substrate by spectrophotometric analysis				Bioorg Med Chem 27: 1430-1436 (2019) Article DOI: 10.1016/j.bmc.2019.02.023 BindingDB Entry DOI: 10.7270/Q2MK6HFC
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50537176 (CHEMBL4535968) Show SMILES N[C@H](CCCOC(=O)NOC(=O)Oc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C13H16N2O7/c14-10(11(16)17)7-4-8-20-12(18)15-22-13(19)21-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,14H2,(H,15,18)(H,16,17)/t10-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	1.60E+4	n/a	n/a
Wesleyan University Curated by ChEMBL					Assay Description Irreversible inhibition of Enterobacter cloacae P99 beta-lactamase using cephalothin as substrate by spectrophotometric analysis				Bioorg Med Chem 27: 1430-1436 (2019) Article DOI: 10.1016/j.bmc.2019.02.023 BindingDB Entry DOI: 10.7270/Q2MK6HFC
					More data for this Ligand-Target Pair