Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'bunt' and Initial = 'a'   

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
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50600005 (CHEMBL5195268) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(ccc2ccc1=O)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM21690 (1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50600003 (CHEMBL5201228) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50050549 (GSK2140944 | Gepotidacin) Show SMILES O=c1ccc2ncc(=O)n3[C@H](CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23 |r| Show InChI InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50600006 (CHEMBL5172158) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(cnc2ccc1=O)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50600007 (CHEMBL5182200) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2SCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574730 ((hydrochloride salt): 3-[4-(Piperidin-4-yl)phenyl]...) Show SMILES NS(=O)(=O)n1ccc(c1C(O)=O)-c1ccc(cc1)C1CC[NH2+]CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50600004 (CHEMBL5184104) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(OC)cnc2ccc1=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574735 ((Hydrochloride Salt): 3-[4-(3-Aminopropylcarbamoyl...) Show SMILES NS(=O)(=O)n1ccc(c1C(O)=O)-c1ccc(cc1)C(=O)NCCC[NH3+] Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	263	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574732 (US11459296, Example 40) Show SMILES NS(=O)(=O)n1ccc(c1C(O)=O)-c1cccc(c1)C1CC[NH2+]CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	264	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574737 ((Hydrochloride Salt): 3-(2-Amino-1,3-benzothiazol-...) Show SMILES NS(=O)(=O)n1ccc(c1C(O)=O)-c1cccc2sc([NH3+])nc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	314	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50600009 (CHEMBL5177076) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(cnc2ccc1=O)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574714 (3-(4-Methanesulfonylphenyl)- 1-sulfamoyl-1H-pyrrol...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccn(c1C([O-])=O)S(N)(=O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	444	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574716 (3-(Pyridin-3-yl)-1-sulfamoyl- 1H-pyrrole-2-carboxy...) Show SMILES NS(=O)(=O)n1ccc(c1C([O-])=O)-c1cccnc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	448	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50600008 (CHEMBL5198597) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(OC)cnc2ccc1=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574713 (3-(p-tolyl)-1-sulfamoyl-1H- pyrrole-2-carboxylic a...) Show SMILES Cc1ccc(cc1)-c1ccn(c1C([O-])=O)S(N)(=O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	479	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574744 (3-(6-Aminopyridin-3-yl)-2- (1H-tetrazol-5-yl)-1H- ...) Show SMILES Nc1ccc(cn1)-c1ccn(c1-c1nnn[nH]1)S(N)(=O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	506	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574729 (US11459296, Example 26) Show SMILES NC(=O)c1ccc(cc1)-c1ccn(c1C(O)=O)S(N)(=O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	512	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574726 (3-[4- (Cyclopropylsulfonylamino) phenyl]-1-sulfamo...) Show SMILES NS(=O)(=O)n1ccc(c1C(O)=O)-c1ccc(NS(=O)(=O)C2CC2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	548	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574727 (3-(6-Acetamido-3-pyridyl)-1- sulfamoyl-pyrrole-2- ...) Show SMILES CC(=O)Nc1ccc(cn1)-c1ccn(c1C(O)=O)S(N)(=O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	608	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574734 (US11459296, Example 47) Show SMILES NS(=O)(=O)n1ccc(c1C(O)=O)-c1ccc2nc([NH3+])nn2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	656	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574721 (US11459296, Example 18) Show SMILES NS(=O)(=O)n1ccc(c1C([O-])=O)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	725	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574712 ((Free Acid): 3-(6-Aminopyridin-3-yl)-1-sulfamoyl-1...) Show SMILES Nc1ccc(cn1)-c1ccn(c1C(O)=O)S(N)(=O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	826	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574740 (3-[1-(3-Aminopropanoyl)-4- piperidyl]-1-sulfamoyl-...) Show SMILES NCCC(=O)N1CCC(CC1)c1ccn(c1C(O)=O)S(N)(=O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	834	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574731 (US11459296, Example 36) Show SMILES NCCNS(=O)(=O)c1ccc(cc1)-c1ccn(c1C(O)=O)S(N)(=O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574743 ((free tetrazole): 3-(1-Methyl-1H-pyrazol-4-yl)-2-(...) Show SMILES Cn1cc(cn1)-c1ccn(c1-c1nnn[nH]1)S(N)(=O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574739 ((free acid): 3-[1-(2-Aminoacetyl)-4-piperidyl]-1-s...) Show SMILES NCC(=O)N1CCC(CC1)c1ccn(c1C(O)=O)S(N)(=O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574738 ((free acid): 3-(1-Acetylpiperidin-4-yl)-1-sulfamoy...) Show SMILES CC(=O)N1CCC(CC1)c1ccn(c1C(O)=O)S(N)(=O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574717 (3-(Pyridin-4-yl)-1-sulfamoyl- 1H-pyrrole-2-carboxy...) Show SMILES NS(=O)(=O)n1ccc(c1C([O-])=O)-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574728 (US11459296, Example 25) Show SMILES Nc1ncc(cn1)-c1ccn(c1C([O-])=O)S(N)(=O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574722 (3-(3-Fluorophenyl)-1- sulfamoyl-pyrrole-2- carboxy...) Show SMILES NS(=O)(=O)n1ccc(c1C(O)=O)-c1cccc(F)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574724 (US11459296, Example 22) Show SMILES Nc1cncc(c1)-c1ccn(c1C(O)=O)S(N)(=O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574742 ((sodium salt): 3-Pyrrol-1-yl-1-sulfamoyl-pyrrole-2...) Show SMILES NS(=O)(=O)n1ccc(c1C([O-])=O)-n1cccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574736 ((Sodium Salt): 3-(6-Oxo-1,6-dihydropyridin-3-yl)-1...) Show SMILES NS(=O)(=O)n1ccc(c1C([O-])=O)-c1ccc(=O)[nH]c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574733 (US11459296, Example 46) Show SMILES Cn1c([NH3+])nc2c(cccc12)-c1ccn(c1C(O)=O)S(N)(=O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574715 (3-(1-Methyl-1H-pyrazol-4-yl)- 1-sulfamoyl-1H-pyrro...) Show SMILES Cn1cc(cn1)-c1ccn(c1C([O-])=O)S(N)(=O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600011 (CHEMBL5205047) Show SMILES [H][C@@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574723 (3-(6-Amino-5-fluoro-3- pyridyl)-1-sulfamoyl-pyrrol...) Show SMILES Nc1ncc(cc1F)-c1ccn(c1C(O)=O)S(N)(=O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574741 ((Sodium Salt): 3-(Cyclopropylmethoxy)-1-sulfamoyl-...) Show SMILES NS(=O)(=O)n1ccc(OCC2CC2)c1C([O-])=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600007 (CHEMBL5182200) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2SCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM574718 (US11459296, Example 11) Show SMILES NS(=O)(=O)n1ccc(c1C([O-])=O)-c1cccc2ncccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of metallo-β-lactamase enzyme function was performed at 37° C. in buffer at pH 7.5 (50 mM HEPES, 150 mM NaCl, 0.1 mM ZnSO4, 20 μ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J106DS
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600010 (CHEMBL5184352) Show SMILES [H][C@]12C[C@@H](CC[C@@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600003 (CHEMBL5201228) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600018 (CHEMBL5199405) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(ccc2ccc1=O)C#N |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600013 (CHEMBL5194618) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ncc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600014 (CHEMBL5172094) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)cnc2ccc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600012 (CHEMBL5190832) Show SMILES [H][C@@]12C[C@@H](CC[C@@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600017 (CHEMBL5195721) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(F)ccc2ncc1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50600003 (CHEMBL5201228) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50600015 (CHEMBL5206169) Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2SCC(=O)Nc2n1)NCCn1c2cc(cnc2ccc1=O)C#N |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128648 BindingDB Entry DOI: 10.7270/Q2MC942Z
					More data for this Ligand-Target Pair

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