Compile Data Set for Download or QSAR

Found 8 hits of kd for UniProtKB: P9WMC1   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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)	BDBM228829 (N-(Cyclopentylmethyl)pyrrolidine-1-carboxamide (3)) Show SMILES O=C(NCC1CCCC1)N1CCCC1 Show InChI InChI=1S/C11H20N2O/c14-11(13-7-3-4-8-13)12-9-10-5-1-2-6-10/h10H,1-9H2,(H,12,14)	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)	BDBM228830 (N-(Cyclopentylmethyl)cyclopentanecarboxamide (4)) Show SMILES O=C(NCC1CCCC1)C1CCCC1 Show InChI InChI=1S/C12H21NO/c14-12(11-7-3-4-8-11)13-9-10-5-1-2-6-10/h10-11H,1-9H2,(H,13,14)	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)	BDBM228827 (3-Cyclopentyl-1-(pyrrolidin-1-yl)propan-1-one (1)) Show SMILES O=C(CCC1CCCC1)N1CCCC1 Show InChI InChI=1S/C12H21NO/c14-12(13-9-3-4-10-13)8-7-11-5-1-2-6-11/h11H,1-10H2	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)
HTH-type transcriptional regulator EthR (Mycobacterium tuberculosis)	BDBM228828 (Cyclopentylmethyl pyrrolidine-1-carboxylate (2)) Show SMILES O=C(OCC1CCCC1)N1CCCC1 Show InChI InChI=1S/C11H19NO2/c13-11(12-7-3-4-8-12)14-9-10-5-1-2-6-10/h10H,1-9H2	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)	BDBM228831 (1-((2-Cyclopentylethyl)sulfonyl)pyrrolidine (5)) Show SMILES O=S(=O)(CCC1CCCC1)N1CCCC1 Show InChI InChI=1S/C11H21NO2S/c13-15(14,12-8-3-4-9-12)10-7-11-5-1-2-6-11/h11H,1-10H2	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)	BDBM228832 (N-(Cyclopentylmethyl)pyrrolidine-1-sulfonamide (6)) Show SMILES O=S(=O)(NCC1CCCC1)N1CCCC1 Show InChI InChI=1S/C10H20N2O2S/c13-15(14,12-7-3-4-8-12)11-9-10-5-1-2-6-10/h10-11H,1-9H2	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)	BDBM228833 ((E)-3-(Furan-3-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-...) Show SMILES O=C(\C=C\c1ccoc1)N1CCCC1 Show InChI InChI=1S/C11H13NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h3-5,8-9H,1-2,6-7H2/b4-3+	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)	BDBM228834 (3-(Furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one (8)) Show SMILES O=C(CCc1ccoc1)N1CCCC1 Show InChI InChI=1S/C11H15NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h5,8-9H,1-4,6-7H2	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)