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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM16297 (5-Hexyl-2-phenoxy-phenol | 5-hexyl-2-phenoxylpheno...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM97445 (PT119) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM16296 (5-Pentyl-2-phenoxy-phenol | 5-pentyl-2-phenoxylphe...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM97444 (PT443) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) | 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 PDB Article PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM97443 (PT447) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM36540 (5-bromo-2-phenoxylphenol | PT103) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM36543 (5-propyl-2-phenoxyphenol | PT02) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM16294 (2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM97441 (PT89) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM97440 (PT68) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM36539 (5-chloro-2-phenoxylphenol | PT52 | US10071965, Com...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM50373348 (CHEMBL264434 | PT13) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM36542 (5-methyl-2-phenoxylphenol | PT53 | US10071965, Com...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM97446 (PT162) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM16298 (5-Octyl-2-phenoxy-phenol | 5-heptyl-2-phenoxylphen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM97442 (PT446) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.01 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM231620 (CG400549 | US10071965, Compound CG400549) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Wuerzburg | Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t... | J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM36538 (5-fluoro-2-phenoxylphenol | PT55 | US10071965, Com...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | 1.42 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM36541 (5-nitro-2-phenoxylphenol | PT104) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Patents | Article PubMed | 1.49 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM190654 (PT173) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Wuerzburg | Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t... | J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM190661 (PT166) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Wuerzburg | Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t... | J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli) | BDBM190661 (PT166) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Wuerzburg | Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t... | J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human)) | BDBM50067004 ((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wu£rzburg Curated by ChEMBL | Assay Description Inhibition of FKBP12 | J Med Chem 54: 277-83 (2011) Article DOI: 10.1021/jm101156y BindingDB Entry DOI: 10.7270/Q2GF0VG2 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM231623 (PT159) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Wuerzburg | Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t... | J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM190653 (PT172) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Wuerzburg | Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t... | J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM190652 (LOX inhibitor, 13 | PT171) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 11.9 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Wuerzburg | Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t... | J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM36537 (2-phenoxylphenol | PT51 | US10071965, Compound PT5...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | 18.9 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM190655 (PT179) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 19 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Wuerzburg | Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t... | J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM231621 (PT420) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 29.6 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Wuerzburg | Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t... | J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM8117 (Hydroxyethylene Sulfone 17b | N-[(2S,3R,5S)-1-(3-b...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 45 | -41.9 | 85 | n/a | n/a | n/a | n/a | 5.5 | 25 |
Philipps-Universitat Marburg | Assay Description The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra... | J Med Chem 48: 6607-19 (2005) Article DOI: 10.1021/jm050224y BindingDB Entry DOI: 10.7270/Q2416V8D | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50053435 (CHEMBL3323035) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Regensburg Curated by ChEMBL | Assay Description Inhibition of human H3 receptor | Bioorg Med Chem 22: 4867-81 (2014) Article DOI: 10.1016/j.bmc.2014.06.045 BindingDB Entry DOI: 10.7270/Q25X2BK0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli) | BDBM231620 (CG400549 | US10071965, Compound CG400549) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem | PDB Article PubMed | 81.9 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Wuerzburg | Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t... | J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli) | BDBM190652 (LOX inhibitor, 13 | PT171) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 95.7 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Wuerzburg | Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t... | J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM231624 (PT191) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 197 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Wuerzburg | Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t... | J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli) | BDBM190654 (PT173) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 203 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Wuerzburg | Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t... | J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus) | BDBM231622 (PT170 | US10071965, Compound PT170) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | 229 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Wuerzburg | Assay Description Kinetics were performed on a Cary 100 spectrophotometer (Varian) at 20 °C. Reaction velocities were measured by monitoring the oxidation of NAD(P)H t... | J Biol Chem 289: 15987-6005 (2014) Article DOI: 10.1074/jbc.M113.532804 BindingDB Entry DOI: 10.7270/Q2H41Q89 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human)) | BDBM50335225 ((S)-1-Phenylmethanesulfonyl-piperidine-2-carboxyli...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wu£rzburg Curated by ChEMBL | Assay Description Inhibition of FKBP12 | J Med Chem 54: 277-83 (2011) Article DOI: 10.1021/jm101156y BindingDB Entry DOI: 10.7270/Q2GF0VG2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM8123 (Hydroxyethylene Sulfone 18a | N-((1S,2R,4S)-1-(3-b...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 370 | -36.7 | 530 | n/a | n/a | n/a | n/a | 5.5 | 25 |
Philipps-Universitat Marburg | Assay Description The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra... | J Med Chem 48: 6607-19 (2005) Article DOI: 10.1021/jm050224y BindingDB Entry DOI: 10.7270/Q2416V8D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM8124 (Hydroxyethylene Sulfone 18b | N-((1S,2R,4S)-1-(3-b...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 540 | -35.8 | 790 | n/a | n/a | n/a | n/a | 5.5 | 25 |
Philipps-Universitat Marburg | Assay Description The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra... | J Med Chem 48: 6607-19 (2005) Article DOI: 10.1021/jm050224y BindingDB Entry DOI: 10.7270/Q2416V8D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM8118 (Hydroxyethylene Sulfone 17b- | N-[(2R,3S,5R)-1-(3-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.40E+3 | -33.4 | 2.00E+3 | n/a | n/a | n/a | n/a | 5.5 | 25 |
Philipps-Universitat Marburg | Assay Description The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra... | J Med Chem 48: 6607-19 (2005) Article DOI: 10.1021/jm050224y BindingDB Entry DOI: 10.7270/Q2416V8D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM8121 ((2R)-N-[(2S,3R,5S)-1-(3-bromophenyl)-7-(2,4-dichlo...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.90E+3 | -31.6 | 4.20E+3 | n/a | n/a | n/a | n/a | 5.5 | 25 |
Philipps-Universitat Marburg | Assay Description The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra... | J Med Chem 48: 6607-19 (2005) Article DOI: 10.1021/jm050224y BindingDB Entry DOI: 10.7270/Q2416V8D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM8120 (2-bromo-N-[(2S,3R,5S)-1-(3-bromophenyl)-7-(2,4-dic...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 3.10E+3 | -31.4 | 4.50E+3 | n/a | n/a | n/a | n/a | 5.5 | 25 |
Philipps-Universitat Marburg | Assay Description The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra... | J Med Chem 48: 6607-19 (2005) Article DOI: 10.1021/jm050224y BindingDB Entry DOI: 10.7270/Q2416V8D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM8119 (Hydroxyethylene Sulfone 17c | N-[(2S,3R,5S)-1-(3-b...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 7.00E+3 | -29.4 | 1.00E+4 | n/a | n/a | n/a | n/a | 5.5 | 25 |
Philipps-Universitat Marburg | Assay Description The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra... | J Med Chem 48: 6607-19 (2005) Article DOI: 10.1021/jm050224y BindingDB Entry DOI: 10.7270/Q2416V8D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM8122 ((2R)-N-[(2R,3S,5R)-1-(3-bromophenyl)-7-(2,4-dichlo...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | >4.00E+4 | >-25.1 | >4.00E+4 | n/a | n/a | n/a | n/a | 5.5 | 25 |
Philipps-Universitat Marburg | Assay Description The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra... | J Med Chem 48: 6607-19 (2005) Article DOI: 10.1021/jm050224y BindingDB Entry DOI: 10.7270/Q2416V8D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM8116 (Hydroxyethylene Sulfone 17a | N-[(2S,3R,5S)-1-(3-b...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >4.00E+4 | >-25.1 | >4.00E+4 | n/a | n/a | n/a | n/a | 5.5 | 25 |
Philipps-Universitat Marburg | Assay Description The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra... | J Med Chem 48: 6607-19 (2005) Article DOI: 10.1021/jm050224y BindingDB Entry DOI: 10.7270/Q2416V8D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Equus caballus (Horse)) | BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Regensburg Curated by ChEMBL | Assay Description Inhibition of equine serum BChE | Bioorg Med Chem 22: 4867-81 (2014) Article DOI: 10.1016/j.bmc.2014.06.045 BindingDB Entry DOI: 10.7270/Q25X2BK0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cholinesterase (Equus caballus (Horse)) | BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Regensburg Curated by ChEMBL | Assay Description Inhibition of equine serum BChE | Bioorg Med Chem 22: 4867-81 (2014) Article DOI: 10.1016/j.bmc.2014.06.045 BindingDB Entry DOI: 10.7270/Q25X2BK0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50053433 (CHEMBL3323037) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Regensburg Curated by ChEMBL | Assay Description Inhibition of electric eel AChE | Bioorg Med Chem 22: 4867-81 (2014) Article DOI: 10.1016/j.bmc.2014.06.045 BindingDB Entry DOI: 10.7270/Q25X2BK0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50053433 (CHEMBL3323037) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Regensburg Curated by ChEMBL | Assay Description Inhibition of electric eel AChE | Bioorg Med Chem 22: 4867-81 (2014) Article DOI: 10.1016/j.bmc.2014.06.045 BindingDB Entry DOI: 10.7270/Q25X2BK0 | |||||||||||
More data for this Ligand-Target Pair |
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