Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with Target = 'Carbapenem-hydrolyzing beta-lactamase KPC'   

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
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured e...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50339145 (CHEMBL1689063 | trans-7-oxo-6-(sulfooxy)-1,6-diaza...) Show SMILES NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r| Show InChI InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured e...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50541449 (CHEMBL4636953) Show SMILES Nc1nnc(SCC(=O)N[C@H]2Cc3cccc(C(O)=O)c3OB2O)s1 |r| Show InChI InChI=1S/C13H13BN4O5S2/c15-12-17-18-13(25-12)24-5-9(19)16-8-4-6-2-1-3-7(11(20)21)10(6)23-14(8)22/h1-3,8,22H,4-5H2,(H2,15,17)(H,16,19)(H,20,21)/t8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured e...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50089084 (CHEMBL3317857 | Vaborbactam) Show SMILES OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1 |r| Show InChI InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured e...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50541450 (CHEMBL4640702) Show SMILES OB1Oc2c(C[C@@H]1Sc1nncs1)cccc2C(O)=O |r| Show InChI InChI=1S/C11H9BN2O4S2/c15-10(16)7-3-1-2-6-4-8(12(17)18-9(6)7)20-11-14-13-5-19-11/h1-3,5,8,17H,4H2,(H,15,16)/t8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured e...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569703 (CHEMBL4851703) Show SMILES Oc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569685 (CHEMBL4877631) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccc(I)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569681 (CHEMBL4867398) Show SMILES C(Oc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569686 (CHEMBL4868540) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1cc(Cl)cc(Cl)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569680 (CHEMBL4862416) Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569689 (CHEMBL4855728) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(Br)cc1)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569696 (CHEMBL4867248) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569690 (CHEMBL4876416) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569699 (CHEMBL4855195) Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccc(OC)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569698 (CHEMBL4855265) Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569692 (CHEMBL4864504) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569688 (CHEMBL4848727) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569697 (CHEMBL4860974) Show SMILES CCOc1ccc(cc1)N1C(C\C1=N/c1ccc(Cl)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569687 (CHEMBL4862171) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569691 (CHEMBL4866009) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569684 (CHEMBL4865343) Show SMILES C1C(N(\C1=N\c1ccccc1)c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569682 (CHEMBL4849131) Show SMILES COc1cccc(c1)N1C(C\C1=N/c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569683 (CHEMBL4849406) Show SMILES C1C(N(\C1=N\c1ccccc1)c1ccc2OCCOc2c1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569679 (CHEMBL4855927) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569702 (CHEMBL4864325) Show SMILES Clc1ccc(C2C\C(=N/c3ccc(I)cc3)N2c2ccc(OCc3ccccc3)cc2)c(Cl)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569704 (CHEMBL4848912) Show SMILES OCc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569694 (CHEMBL4876790) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(Cl)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569705 (CHEMBL4853896) Show SMILES OC(=O)c1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569695 (CHEMBL4875502) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(Br)cc1)c1ccc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569701 (CHEMBL4872507) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(I)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569693 (CHEMBL4854293) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1Cl Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50569700 (CHEMBL4872541) Show SMILES COc1ccc(cc1)N1C(C\C1=N/c1ccc(I)cc1)c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KPC-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 3 mins by spectrophotometric analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113418 BindingDB Entry DOI: 10.7270/Q26977C2
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Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM428643 (US10544146, Ex. 40) Show SMILES CC(=O)NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r| Show InChI InChI=1S/C9H14N4O7S/c1-5(14)10-11-8(15)7-3-2-6-4-12(7)9(16)13(6)20-21(17,18)19/h6-7H,2-4H2,1H3,(H,10,14)(H,11,15)(H,17,18,19)/t6-,7+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
FEDORA PHARMACEUTICALS INC. US Patent					Assay Description he inhibitory activities of present compounds against various enzymes were measured by spectrophotometric assay using 490 nM and using nitrocefin as ...				US Patent US10544146 (2020) BindingDB Entry DOI: 10.7270/Q2KS6TX4
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Carbapenem-hydrolyzing beta-lactamase KPC (Klebsiella pneumoniae)	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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Service de Bactériologie-Virologie, Hôpital de Bicêtre Curated by ChEMBL					Assay Description Inhibition of carbapenem-resistant Klebsiella pneumoniae carbepenem-hydrolyzing beta-lactamase KPC-1				Antimicrob Agents Chemother 54: 328-32 (2009) Article DOI: 10.1128/AAC.00961-09 BindingDB Entry DOI: 10.7270/Q2ZW1M3F
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Carbapenem-hydrolyzing beta-lactamase KPC (Klebsiella pneumoniae)	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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	374	n/a	n/a	n/a	n/a	n/a	n/a
University of Aveiro Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae KPC-1 beta lactamase expressed in Escherichia coli DH5alpha by SDS-PAGE				Antimicrob Agents Chemother 51: 4512-4 (2007) Article DOI: 10.1128/AAC.00491-07 BindingDB Entry DOI: 10.7270/Q2PK0FX5
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Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50277665 (4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...) Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12 Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Klebsiella pneumoniae KPC-2				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
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Carbapenem-hydrolyzing beta-lactamase KPC (Klebsiella pneumoniae)	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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Service de Bactériologie-Virologie, Hôpital de Bicêtre Curated by ChEMBL					Assay Description Inhibition of carbapenem-resistant Klebsiella pneumoniae carbepenem-hydrolyzing beta-lactamase KPC-1				Antimicrob Agents Chemother 54: 328-32 (2009) Article DOI: 10.1128/AAC.00961-09 BindingDB Entry DOI: 10.7270/Q2ZW1M3F
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