Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1972   

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
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349604 (US10208000, Compound 46) Show SMILES CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C19H15N3O4S/c1-22(14-7-6-12-4-2-3-5-13(12)10-14)27(25,26)15-8-9-16-17(11-15)21-19(24)18(23)20-16/h2-11H,1H3,(H,20,23)(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349600 (US10208000, Compound 42) Show SMILES CCc1cccc(c1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C17H17N3O4S/c1-3-11-5-4-6-12(9-11)20(2)25(23,24)13-7-8-14-15(10-13)19-17(22)16(21)18-14/h4-10H,3H2,1-2H3,(H,18,21)(H,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349596 (US10208000, Compound 38) Show SMILES CN(c1cccc(Br)c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C15H12BrN3O4S/c1-19(10-4-2-3-9(16)7-10)24(22,23)11-5-6-12-13(8-11)18-15(21)14(20)17-12/h2-8H,1H3,(H,17,20)(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349587 (US10208000, Compound 29) Show SMILES CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C15H12BrN3O4S/c1-19(10-4-2-9(16)3-5-10)24(22,23)11-6-7-12-13(8-11)18-15(21)14(20)17-12/h2-8H,1H3,(H,17,20)(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349592 (US10208000, Compound 34) Show SMILES CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C15H12ClN3O4S/c1-19(10-4-2-9(16)3-5-10)24(22,23)11-6-7-12-13(8-11)18-15(21)14(20)17-12/h2-8H,1H3,(H,17,20)(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349601 (US10208000, Compound 43) Show SMILES CC(C)c1cccc(c1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C18H19N3O4S/c1-11(2)12-5-4-6-13(9-12)21(3)26(24,25)14-7-8-15-16(10-14)20-18(23)17(22)19-15/h4-11H,1-3H3,(H,19,22)(H,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349593 (US10208000, Compound 35) Show SMILES CC(C)c1ccc(cc1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C18H19N3O4S/c1-11(2)12-4-6-13(7-5-12)21(3)26(24,25)14-8-9-15-16(10-14)20-18(23)17(22)19-15/h4-11H,1-3H3,(H,19,22)(H,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349605 (US10208000, Compound 47) Show SMILES COc1cc(cc2ccccc12)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C20H17N3O5S/c1-23(13-9-12-5-3-4-6-15(12)18(10-13)28-2)29(26,27)14-7-8-16-17(11-14)22-20(25)19(24)21-16/h3-11H,1-2H3,(H,21,24)(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349599 (US10208000, Compound 41) Show SMILES CN(c1cccc(C)c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C16H15N3O4S/c1-10-4-3-5-11(8-10)19(2)24(22,23)12-6-7-13-14(9-12)18-16(21)15(20)17-13/h3-9H,1-2H3,(H,17,20)(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349602 (US10208000, Compound 44) Show SMILES CCCCc1cccc(c1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C19H21N3O4S/c1-3-4-6-13-7-5-8-14(11-13)22(2)27(25,26)15-9-10-16-17(12-15)21-19(24)18(23)20-16/h5,7-12H,3-4,6H2,1-2H3,(H,20,23)(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349595 (US10208000, Compound 37) Show SMILES CN(c1cccc(F)c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C15H12FN3O4S/c1-19(10-4-2-3-9(16)7-10)24(22,23)11-5-6-12-13(8-11)18-15(21)14(20)17-12/h2-8H,1H3,(H,17,20)(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349597 (US10208000, Compound 39) Show SMILES COc1cccc(c1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C16H15N3O5S/c1-19(10-4-3-5-11(8-10)24-2)25(22,23)12-6-7-13-14(9-12)18-16(21)15(20)17-13/h3-9H,1-2H3,(H,17,20)(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349591 (US10208000, Compound 33) Show SMILES CN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C15H13N3O4S/c1-18(10-5-3-2-4-6-10)23(21,22)11-7-8-12-13(9-11)17-15(20)14(19)16-12/h2-9H,1H3,(H,16,19)(H,17,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349588 (US10208000, Compound 30) Show SMILES Brc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 Show InChI InChI=1S/C14H10BrN3O4S/c15-8-1-3-9(4-2-8)18-23(21,22)10-5-6-11-12(7-10)17-14(20)13(19)16-11/h1-7,18H,(H,16,19)(H,17,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349598 (US10208000, Compound 40) Show SMILES COc1cc(OC)cc(c1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C17H17N3O6S/c1-20(10-6-11(25-2)8-12(7-10)26-3)27(23,24)13-4-5-14-15(9-13)19-17(22)16(21)18-14/h4-9H,1-3H3,(H,18,21)(H,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349590 (US10208000, Compound 32) Show SMILES CC(C)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 Show InChI InChI=1S/C17H17N3O4S/c1-10(2)11-3-5-12(6-4-11)20-25(23,24)13-7-8-14-15(9-13)19-17(22)16(21)18-14/h3-10,20H,1-2H3,(H,18,21)(H,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349603 (US10208000, Compound 45) Show SMILES CN(c1cccc(c1)C(C)(C)C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C19H21N3O4S/c1-19(2,3)12-6-5-7-13(10-12)22(4)27(25,26)14-8-9-15-16(11-14)21-18(24)17(23)20-15/h5-11H,1-4H3,(H,20,23)(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349594 (US10208000, Compound 36) Show SMILES COc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 Show InChI InChI=1S/C16H15N3O5S/c1-19(13-5-3-4-6-14(13)24-2)25(22,23)10-7-8-11-12(9-10)18-16(21)15(20)17-11/h3-9H,1-2H3,(H,17,20)(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM349589 (US10208000, Compound 31) Show SMILES O=c1[nH]c2ccc(cc2[nH]c1=O)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C14H11N3O4S/c18-13-14(19)16-12-8-10(6-7-11(12)15-13)22(20,21)17-9-4-2-1-3-5-9/h1-8,17H,(H,15,18)(H,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Research Foundation US Patent					Assay Description To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...				US Patent US10208000 (2019) BindingDB Entry DOI: 10.7270/Q28S4S2Z
					More data for this Ligand-Target Pair