BindingDB PrimarySearch

Found 491 hits with Last Name = 'bono' 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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Replicase polyprotein 1ab (2019-nCoV)	BDBM496902 (CVD-0018409 \| PF-07321332 \| US11351149, Example 13...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Dihydrofolate reductase enzyme purified from Plasmodium berghei.				Citation and Details
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50405457 (CHEMBL5283903) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human platelet Thromboxane synthetase				Citation and Details
TBA					More data for this Ligand-Target Pair
Beta-lactamase [24-383] (Acinetobacter baumannii (g-Proteobacteria))	BDBM152694 (SM23) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem	PDB Article PubMed	21.1	-43.8	n/a	90	n/a	n/a	n/a	7.4	25
Grand Valley State University					Assay Description Steady state kinetics assays were performed on a Cary 100 UV−vis spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4) with 2 nM ADC-7....				Biochemistry 53: 7670-9 (2014) Article DOI: 10.1021/bi500887n BindingDB Entry DOI: 10.7270/Q2GM8614
Grand Valley State University					More data for this Ligand-Target Pair				3D Structure (crystal)
Oxa40 (Acinetobacter baumannii)	BDBM227598 (Penem 1) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	150	n/a	n/a	n/a	n/a	7.2	n/a
Case Western Reserve University					Assay Description Steady-state kinetics were performed on an Agilent 8453 diode array spectrophotometer (Palo Alto, CA) in 50 mM sodium phosphate buffer (pH 7.2) suppl...				J Biol Chem 289: 6152-64 (2014) Article DOI: 10.1074/jbc.M113.533562 BindingDB Entry DOI: 10.7270/Q2CN72SC
Case Western Reserve University					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM512571 (acs.jmedchem.1c00409_ST.164) Show SMILES O=c1n(Cc2ccco2)[se]c2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of dihydrofolate reductasefrom rat liver at 1x10E6 M				Citation and Details
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50405456 (CHEMBL5287345) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against sheep seminal vesicle prostaglandin synthetase				Citation and Details
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50405455 (CHEMBL3427167) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human platelet Thromboxane synthetase				Citation and Details
TBA					More data for this Ligand-Target Pair
Beta-lactamase [24-383] (Acinetobacter baumannii (g-Proteobacteria))	BDBM152695 (S02030) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	44.5	-42.0	n/a	590	n/a	n/a	n/a	7.4	25
Grand Valley State University					Assay Description Steady state kinetics assays were performed on a Cary 100 UV−vis spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4) with 2 nM ADC-7....				Biochemistry 53: 7670-9 (2014) Article DOI: 10.1021/bi500887n BindingDB Entry DOI: 10.7270/Q2GM8614
Grand Valley State University					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase OXA-1 (Escherichia coli (Enterobacteria))	BDBM227598 (Penem 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	30	n/a	n/a	n/a	n/a	7.2	n/a
Case Western Reserve University					Assay Description Steady-state kinetics were performed on an Agilent 8453 diode array spectrophotometer (Palo Alto, CA) in 50 mM sodium phosphate buffer (pH 7.2) suppl...				J Biol Chem 289: 6152-64 (2014) Article DOI: 10.1074/jbc.M113.533562 BindingDB Entry DOI: 10.7270/Q2CN72SC
Case Western Reserve University					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM512583 (acs.jmedchem.1c00409_ST.176) Show SMILES O=c1n(Cc2ccco2)sc2ccccc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of dihydrofolate reductasefrom rat liver at 1x10E6 M				Citation and Details
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM419133 (BDBM429386 \| GC376) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Dihydrofolate reductase enzyme purified from rat liver.				Citation and Details
TBA					More data for this Ligand-Target Pair
Oxa40 (Acinetobacter baumannii)	BDBM227599 (Penem 3) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	160	n/a	n/a	n/a	n/a	7.2	n/a
Case Western Reserve University					Assay Description Steady-state kinetics were performed on an Agilent 8453 diode array spectrophotometer (Palo Alto, CA) in 50 mM sodium phosphate buffer (pH 7.2) suppl...				J Biol Chem 289: 6152-64 (2014) Article DOI: 10.1074/jbc.M113.533562 BindingDB Entry DOI: 10.7270/Q2CN72SC
Case Western Reserve University					More data for this Ligand-Target Pair
Beta-lactamase (Mycobacterium tuberculosis H37Rv)	BDBM152733 (Penem 2) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Indian Institute of Technology					Assay Description Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in sodium phosphate buffer (50 mM, pH 7.2) and a 1 cm pathlengt...				Biochemistry 54: 5657-64 (2015) Article DOI: 10.1021/acs.biochem.5b00698 BindingDB Entry DOI: 10.7270/Q29W0D7G
Indian Institute of Technology					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	220	n/a	30	n/a	n/a	n/a	n/a	7.4	n/a
Case Western Reserve University					Assay Description Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4). IC50, defined as t...				Biochemistry 54: 734-43 (2015) Article DOI: 10.1021/bi501197t BindingDB Entry DOI: 10.7270/Q2736PNW
Case Western Reserve University					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase OXA-1 (Escherichia coli (Enterobacteria))	BDBM227599 (Penem 3) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	380	n/a	60	n/a	n/a	n/a	n/a	7.2	n/a
Case Western Reserve University					Assay Description Steady-state kinetics were performed on an Agilent 8453 diode array spectrophotometer (Palo Alto, CA) in 50 mM sodium phosphate buffer (pH 7.2) suppl...				J Biol Chem 289: 6152-64 (2014) Article DOI: 10.1074/jbc.M113.533562 BindingDB Entry DOI: 10.7270/Q2CN72SC
Case Western Reserve University					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM152696 (PSR-3-283A) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	560	n/a	320	n/a	n/a	n/a	n/a	7.4	n/a
Case Western Reserve University					Assay Description Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4). IC50, defined as t...				Biochemistry 54: 734-43 (2015) Article DOI: 10.1021/bi501197t BindingDB Entry DOI: 10.7270/Q2736PNW
Case Western Reserve University					More data for this Ligand-Target Pair
Beta-lactamase (Mycobacterium tuberculosis H37Rv)	BDBM152732 (Penem 1) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Indian Institute of Technology					Assay Description Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in sodium phosphate buffer (50 mM, pH 7.2) and a 1 cm pathlengt...				Biochemistry 54: 5657-64 (2015) Article DOI: 10.1021/acs.biochem.5b00698 BindingDB Entry DOI: 10.7270/Q29W0D7G
Indian Institute of Technology					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM12311 ((1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxop...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars		1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive antagonism of Histamine H2 receptor in the isolated guinea pig atrium				Citation and Details
TBA					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.50E+3	n/a	3.40E+3	n/a	n/a	n/a	n/a	7.4	n/a
Case Western Reserve University					Assay Description Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4). IC50, defined as t...				Biochemistry 54: 734-43 (2015) Article DOI: 10.1021/bi501197t BindingDB Entry DOI: 10.7270/Q2736PNW
Case Western Reserve University					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50021959 (CHEMBL777 \| MM 14151 \| US9120808, Clavulanic acid ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.00E+3	n/a	100	n/a	n/a	n/a	n/a	7.4	n/a
Case Western Reserve University					Assay Description Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in 10 mM phosphate-buffered saline (pH 7.4). IC50, defined as t...				Biochemistry 54: 734-43 (2015) Article DOI: 10.1021/bi501197t BindingDB Entry DOI: 10.7270/Q2736PNW
Case Western Reserve University					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496871 (indole chloropyridinyl-ester derived, 2) Show SMILES Clc1cncc(OC(=O)c2cccc3NCCc23)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of dihydrofolate reductasefrom rat liver at 1x10E6 M				Citation and Details
TBA					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50370963 (CEFTAZIDIME BATSI) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Binding affinity at Beta-lactamase SHV1 expressed in Escherichia coli DH10B cells				Antimicrob Agents Chemother 51: 1577-9 (2007) Article DOI: 10.1128/AAC.01293-06 BindingDB Entry DOI: 10.7270/Q2WW7JG6
Veterans Affairs Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
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	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
Louis Stokes Cleveland Veterans Affairs Medical Center					More data for this Ligand-Target Pair				3D Structure (crystal)
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM153700 (L-VC26) Show SMILES Show InChI	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
Louis Stokes Cleveland Veterans Affairs Medical Center					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50370963 (CEFTAZIDIME BATSI) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Binding affinity at Beta-lactamase SHV5 expressed in Escherichia coli DH10B cells				Antimicrob Agents Chemother 51: 1577-9 (2007) Article DOI: 10.1128/AAC.01293-06 BindingDB Entry DOI: 10.7270/Q2WW7JG6
Veterans Affairs Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
VIM-24 (Klebsiella pneumoniae (Enterobacteria))	BDBM153700 (L-VC26) Show SMILES Show InChI	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	4.90E+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
Louis Stokes Cleveland Veterans Affairs Medical Center					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50202234 ((Z)-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)aceta...) Show SMILES CO\N=C(/C(=O)NCB(O)O)c1csc(N)n1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Binding affinity at Beta-lactamase SHV5 expressed in Escherichia coli DH10B cells				Antimicrob Agents Chemother 51: 1577-9 (2007) Article DOI: 10.1128/AAC.01293-06 BindingDB Entry DOI: 10.7270/Q2WW7JG6
Veterans Affairs Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM153699 (D-CS319) Show SMILES Show InChI	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
Louis Stokes Cleveland Veterans Affairs Medical Center					More data for this Ligand-Target Pair
VIM-24 (Klebsiella pneumoniae (Enterobacteria))	BDBM153698 (L-CS319) Show SMILES OC(=O)[C@@H]1CS[C@H]2CS[C@H](CS)N12 \|r\| Show InChI	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6.00E+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
Louis Stokes Cleveland Veterans Affairs Medical Center					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Mycobacterium tuberculosis H37Rv)	BDBM50021959 (CHEMBL777 \| MM 14151 \| US9120808, Clavulanic acid ...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.2	n/a
Indian Institute of Technology					Assay Description Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in sodium phosphate buffer (50 mM, pH 7.2) and a 1 cm pathlengt...				Biochemistry 54: 5657-64 (2015) Article DOI: 10.1021/acs.biochem.5b00698 BindingDB Entry DOI: 10.7270/Q29W0D7G
Indian Institute of Technology					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50202234 ((Z)-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)aceta...) Show SMILES CO\N=C(/C(=O)NCB(O)O)c1csc(N)n1 Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Binding affinity at Beta-lactamase SHV1 expressed in Escherichia coli DH10B cells				Antimicrob Agents Chemother 51: 1577-9 (2007) Article DOI: 10.1128/AAC.01293-06 BindingDB Entry DOI: 10.7270/Q2WW7JG6
Veterans Affairs Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50021959 (CHEMBL777 \| MM 14151 \| US9120808, Clavulanic acid ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae 1534 beta-lactamase KPC-2 by competitive assay				Antimicrob Agents Chemother 54: 2867-77 (2010) Article DOI: 10.1128/AAC.00197-10 BindingDB Entry DOI: 10.7270/Q2QJ7HJP
Case Western Reserve University Curated by ChEMBL					More data for this Ligand-Target Pair
VIM-24 (Klebsiella pneumoniae (Enterobacteria))	BDBM153699 (D-CS319) Show SMILES Show InChI	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	1.10E+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
Louis Stokes Cleveland Veterans Affairs Medical Center					More data for this Ligand-Target Pair
VIM-24 (Klebsiella pneumoniae (Enterobacteria))	BDBM153701 (D-VC26) Show SMILES Show InChI	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	1.20E+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
Louis Stokes Cleveland Veterans Affairs Medical Center					More data for this Ligand-Target Pair
Metallo-beta-lactamase VIM-2 (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM153701 (D-VC26) Show SMILES Show InChI	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
Louis Stokes Cleveland Veterans Affairs Medical Center					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Dihydrofolate reductase enzyme purified from Plasmodium berghei.				Citation and Details
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496139 (CVD-0013700 \| PAU-WEI-5b8d5051-1) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		3.84E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Dihydrofolate reductase enzyme purified from Plasmodium berghei.				Citation and Details
TBA					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae 1534 beta-lactamase KPC-2 by competitive assay				Antimicrob Agents Chemother 54: 2867-77 (2010) Article DOI: 10.1128/AAC.00197-10 BindingDB Entry DOI: 10.7270/Q2QJ7HJP
Case Western Reserve University Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Inhibition of Klebsiella pneumoniae 1534 beta-lactamase KPC-2 by competitive assay				Antimicrob Agents Chemother 54: 2867-77 (2010) Article DOI: 10.1128/AAC.00197-10 BindingDB Entry DOI: 10.7270/Q2QJ7HJP
Case Western Reserve University Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50202233 (Acylglycineboronic acid, 5 \| CHEMBL227673 \| acetam...) Show SMILES CC(=O)NCB(O)O Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Binding affinity at Beta-lactamase SHV1 expressed in Escherichia coli DH10B cells				Antimicrob Agents Chemother 51: 1577-9 (2007) Article DOI: 10.1128/AAC.01293-06 BindingDB Entry DOI: 10.7270/Q2WW7JG6
Veterans Affairs Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50202233 (Acylglycineboronic acid, 5 \| CHEMBL227673 \| acetam...) Show SMILES CC(=O)NCB(O)O Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Medical Center Curated by ChEMBL					Assay Description Binding affinity at Beta-lactamase SHV5 expressed in Escherichia coli DH10B cells				Antimicrob Agents Chemother 51: 1577-9 (2007) Article DOI: 10.1128/AAC.01293-06 BindingDB Entry DOI: 10.7270/Q2WW7JG6
Veterans Affairs Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50069985 ((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of dihydropteroate synthase from Escherichia coli.				Citation and Details
TBA					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50202000 (CHEMBL3973951) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	0.291	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598994 (CHEMBL5192262) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
TBA					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50598999 (CHEMBL5197351) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
TBA					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50149467 ((5R,6Z)-6-(6,7-dihydro-5H-cyclopenta-[d]imidazo[2,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 47: 6556-68 (2004) Article DOI: 10.1021/jm049680x BindingDB Entry DOI: 10.7270/Q2542N22
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50157688 ((5R,6Z)-6-[(7-methylimidazo[2,1-b][1,3]-benzothiaz...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 47: 6556-68 (2004) Article DOI: 10.1021/jm049680x BindingDB Entry DOI: 10.7270/Q2542N22
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50157689 ((5R,6Z)-6-(imidazo[2,1-b][1,3]benzothiazol-2-ylmet...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 47: 6556-68 (2004) Article DOI: 10.1021/jm049680x BindingDB Entry DOI: 10.7270/Q2542N22
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM442762 (MPI6) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of dihydropteroate synthase from Escherichia coli.				Citation and Details
TBA					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50610586 (CHEMBL5280445) Show SMILES Show InChI	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 491 total ) | Next | Last >>