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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis) | BDBM228828 (Cyclopentylmethyl pyrrolidine-1-carboxylate (2)) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a |
University of Cambridge | Assay Description An aqueous solution of the fragment to be tested (1 mM) was prepared containing NaCl (300 mM), Tris.HCl (20 mM, pH = 8.0), d6-DMSO (10% v/v) and glyc... | ACS Chem Biol 12: 1390-1396 (2017) Article DOI: 10.1021/acschembio.7b00091 BindingDB Entry DOI: 10.7270/Q2086460 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis) | BDBM228830 (N-(Cyclopentylmethyl)cyclopentanecarboxamide (4)) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a |
University of Cambridge | Assay Description An aqueous solution of the fragment to be tested (1 mM) was prepared containing NaCl (300 mM), Tris.HCl (20 mM, pH = 8.0), d6-DMSO (10% v/v) and glyc... | ACS Chem Biol 12: 1390-1396 (2017) Article DOI: 10.1021/acschembio.7b00091 BindingDB Entry DOI: 10.7270/Q2086460 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis) | BDBM228833 ((E)-3-(Furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of Cambridge | Assay Description An aqueous solution of the fragment to be tested (1 mM) was prepared containing NaCl (300 mM), Tris.HCl (20 mM, pH = 8.0), d6-DMSO (10% v/v) and glyc... | ACS Chem Biol 12: 1390-1396 (2017) Article DOI: 10.1021/acschembio.7b00091 BindingDB Entry DOI: 10.7270/Q2086460 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis) | BDBM228832 (N-(Cyclopentylmethyl)pyrrolidine-1-sulfonamide (6)) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of Cambridge | Assay Description An aqueous solution of the fragment to be tested (1 mM) was prepared containing NaCl (300 mM), Tris.HCl (20 mM, pH = 8.0), d6-DMSO (10% v/v) and glyc... | ACS Chem Biol 12: 1390-1396 (2017) Article DOI: 10.1021/acschembio.7b00091 BindingDB Entry DOI: 10.7270/Q2086460 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis) | BDBM228834 (3-(Furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one (8)) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a |
University of Cambridge | Assay Description An aqueous solution of the fragment to be tested (1 mM) was prepared containing NaCl (300 mM), Tris.HCl (20 mM, pH = 8.0), d6-DMSO (10% v/v) and glyc... | ACS Chem Biol 12: 1390-1396 (2017) Article DOI: 10.1021/acschembio.7b00091 BindingDB Entry DOI: 10.7270/Q2086460 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis) | BDBM228831 (1-((2-Cyclopentylethyl)sulfonyl)pyrrolidine (5)) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a |
University of Cambridge | Assay Description An aqueous solution of the fragment to be tested (1 mM) was prepared containing NaCl (300 mM), Tris.HCl (20 mM, pH = 8.0), d6-DMSO (10% v/v) and glyc... | ACS Chem Biol 12: 1390-1396 (2017) Article DOI: 10.1021/acschembio.7b00091 BindingDB Entry DOI: 10.7270/Q2086460 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis) | BDBM228829 (N-(Cyclopentylmethyl)pyrrolidine-1-carboxamide (3)) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a |
University of Cambridge | Assay Description An aqueous solution of the fragment to be tested (1 mM) was prepared containing NaCl (300 mM), Tris.HCl (20 mM, pH = 8.0), d6-DMSO (10% v/v) and glyc... | ACS Chem Biol 12: 1390-1396 (2017) Article DOI: 10.1021/acschembio.7b00091 BindingDB Entry DOI: 10.7270/Q2086460 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis) | BDBM228827 (3-Cyclopentyl-1-(pyrrolidin-1-yl)propan-1-one (1)) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a |
University of Cambridge | Assay Description An aqueous solution of the fragment to be tested (1 mM) was prepared containing NaCl (300 mM), Tris.HCl (20 mM, pH = 8.0), d6-DMSO (10% v/v) and glyc... | ACS Chem Biol 12: 1390-1396 (2017) Article DOI: 10.1021/acschembio.7b00091 BindingDB Entry DOI: 10.7270/Q2086460 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |