Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Amyloid Binding Alcohol Dehydrogenase'   

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
Amyloid Binding Alcohol Dehydrogenase (Homo sapiens (Human))	BDBM232928 (US9346839, 9) Show SMILES COc1ccc2nc(N[C@@H](c3ccccc3O)P(=O)(OC)OC)sc2c1 Show InChI InChI=1S/C17H19N2O5PS/c1-22-11-8-9-13-15(10-11)26-17(18-13)19-16(25(21,23-2)24-3)12-6-4-5-7-14(12)20/h4-10,16,20H,1-3H3,(H,18,19)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		2.00E+3	n/a	7.20E+3	264	n/a	n/a	n/a	n/a	n/a
University of Kansas US Patent					Assay Description The assay for the inhibition of reduction of S-acetoacetyl-CoA (SAAC) by ABAD was carried out with ABAD (418 ng/ml), SAAC (172 μM), NADH (102 μ...				US Patent US9346839 (2016) BindingDB Entry DOI: 10.7270/Q2J1022N
					More data for this Ligand-Target Pair
Amyloid Binding Alcohol Dehydrogenase (Homo sapiens (Human))	BDBM232926 (US9346839, 7) Show SMILES CCOP(=O)(OCC)[C@@H](Nc1nc2ccc(OC)cc2s1)c1ccc(O)c(c1)C(=O)OC Show InChI InChI=1S/C21H25N2O7PS/c1-5-29-31(26,30-6-2)19(13-7-10-17(24)15(11-13)20(25)28-4)23-21-22-16-9-8-14(27-3)12-18(16)32-21/h7-12,19,24H,5-6H2,1-4H3,(H,22,23)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		2.80E+3	n/a	9.90E+3	256	n/a	n/a	n/a	n/a	n/a
University of Kansas US Patent					Assay Description The assay for the inhibition of reduction of S-acetoacetyl-CoA (SAAC) by ABAD was carried out with ABAD (418 ng/ml), SAAC (172 μM), NADH (102 μ...				US Patent US9346839 (2016) BindingDB Entry DOI: 10.7270/Q2J1022N
					More data for this Ligand-Target Pair
Amyloid Binding Alcohol Dehydrogenase (Homo sapiens (Human))	BDBM232923 (US9346839, 4) Show SMILES COC(=O)c1cc(ccc1O)[C@H](Nc1nc2ccc(OC)cc2s1)P(=O)(OC)OC Show InChI InChI=1S/C19H21N2O7PS/c1-25-12-6-7-14-16(10-12)30-19(20-14)21-17(29(24,27-3)28-4)11-5-8-15(22)13(9-11)18(23)26-2/h5-10,17,22H,1-4H3,(H,20,21)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		5.50E+3	n/a	1.96E+4	496	n/a	n/a	n/a	n/a	n/a
University of Kansas US Patent					Assay Description The assay for the inhibition of reduction of S-acetoacetyl-CoA (SAAC) by ABAD was carried out with ABAD (418 ng/ml), SAAC (172 μM), NADH (102 μ...				US Patent US9346839 (2016) BindingDB Entry DOI: 10.7270/Q2J1022N
					More data for this Ligand-Target Pair
Amyloid Binding Alcohol Dehydrogenase (Homo sapiens (Human))	BDBM232930 (US9346839, 11) Show SMILES COc1ccc2nc(N[C@@H](c3ccc[nH]3)P(=O)(OC)OC)sc2c1 Show InChI InChI=1S/C15H18N3O4PS/c1-20-10-6-7-11-13(9-10)24-15(17-11)18-14(12-5-4-8-16-12)23(19,21-2)22-3/h4-9,14,16H,1-3H3,(H,17,18)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		9.60E+3	n/a	3.41E+4	380	n/a	n/a	n/a	n/a	n/a
University of Kansas US Patent					Assay Description The assay for the inhibition of reduction of S-acetoacetyl-CoA (SAAC) by ABAD was carried out with ABAD (418 ng/ml), SAAC (172 μM), NADH (102 μ...				US Patent US9346839 (2016) BindingDB Entry DOI: 10.7270/Q2J1022N
					More data for this Ligand-Target Pair
Amyloid Binding Alcohol Dehydrogenase (Homo sapiens (Human))	BDBM232927 (US9346839, 8) Show SMILES COc1ccc2nc(N[C@@H](c3ccc(O)cc3)P(=O)(OC)OC)sc2c1 Show InChI InChI=1S/C17H19N2O5PS/c1-22-13-8-9-14-15(10-13)26-17(18-14)19-16(25(21,23-2)24-3)11-4-6-12(20)7-5-11/h4-10,16,20H,1-3H3,(H,18,19)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		1.49E+4	n/a	5.27E+4	291	n/a	n/a	n/a	n/a	n/a
University of Kansas US Patent					Assay Description The interactions between compounds and ABAD were performed using the dual flow cell BIACORE 3000 instrument. Surface Plasmon Resonance (SPR) studies ...				US Patent US9346839 (2016) BindingDB Entry DOI: 10.7270/Q2J1022N
					More data for this Ligand-Target Pair
Amyloid Binding Alcohol Dehydrogenase (Homo sapiens (Human))	BDBM232929 (US9346839, 10) Show SMILES COc1ccc2nc(N[C@@H](c3cccs3)P(=O)(OC)OC)sc2c1 Show InChI InChI=1S/C15H17N2O4PS2/c1-19-10-6-7-11-13(9-10)24-15(16-11)17-14(12-5-4-8-23-12)22(18,20-2)21-3/h4-9,14H,1-3H3,(H,16,17)/t14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		3.40E+4	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas US Patent					Assay Description The assay for the inhibition of reduction of S-acetoacetyl-CoA (SAAC) by ABAD was carried out with ABAD (418 ng/ml), SAAC (172 μM), NADH (102 μ...				US Patent US9346839 (2016) BindingDB Entry DOI: 10.7270/Q2J1022N
					More data for this Ligand-Target Pair
Amyloid Binding Alcohol Dehydrogenase (Homo sapiens (Human))	BDBM232925 (US9346839, 6) Show SMILES CCOP(=O)(OCC)[C@@H](Nc1nc2cc(OC)ccc2s1)c1ccc(O)c(c1)C(=O)OC Show InChI InChI=1S/C21H25N2O7PS/c1-5-29-31(26,30-6-2)19(13-7-9-17(24)15(11-13)20(25)28-4)23-21-22-16-12-14(27-3)8-10-18(16)32-21/h7-12,19,24H,5-6H2,1-4H3,(H,22,23)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		4.49E+4	n/a	1.65E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas US Patent					Assay Description The assay for the inhibition of reduction of S-acetoacetyl-CoA (SAAC) by ABAD was carried out with ABAD (418 ng/ml), SAAC (172 μM), NADH (102 μ...				US Patent US9346839 (2016) BindingDB Entry DOI: 10.7270/Q2J1022N
					More data for this Ligand-Target Pair
Amyloid Binding Alcohol Dehydrogenase (Homo sapiens (Human))	BDBM232927 (US9346839, 8) Show SMILES COc1ccc2nc(N[C@@H](c3ccc(O)cc3)P(=O)(OC)OC)sc2c1 Show InChI InChI=1S/C17H19N2O5PS/c1-22-13-8-9-14-15(10-13)26-17(18-14)19-16(25(21,23-2)24-3)11-4-6-12(20)7-5-11/h4-10,16,20H,1-3H3,(H,18,19)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		7.06E+4	n/a	2.59E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas US Patent					Assay Description The assay for the inhibition of reduction of S-acetoacetyl-CoA (SAAC) by ABAD was carried out with ABAD (418 ng/ml), SAAC (172 μM), NADH (102 μ...				US Patent US9346839 (2016) BindingDB Entry DOI: 10.7270/Q2J1022N
					More data for this Ligand-Target Pair
Amyloid Binding Alcohol Dehydrogenase (Homo sapiens (Human))	BDBM232924 (US9346839, 5) Show SMILES COC(=O)c1cc(ccc1O)[C@H](Nc1nc2cc(F)ccc2s1)P(=O)(OC)OC Show InChI InChI=1S/C18H18FN2O6PS/c1-25-17(23)12-8-10(4-6-14(12)22)16(28(24,26-2)27-3)21-18-20-13-9-11(19)5-7-15(13)29-18/h4-9,16,22H,1-3H3,(H,20,21)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		9.11E+4	n/a	3.35E+5	954	n/a	n/a	n/a	n/a	n/a
University of Kansas US Patent					Assay Description The assay for the inhibition of reduction of S-acetoacetyl-CoA (SAAC) by ABAD was carried out with ABAD (418 ng/ml), SAAC (172 μM), NADH (102 μ...				US Patent US9346839 (2016) BindingDB Entry DOI: 10.7270/Q2J1022N
					More data for this Ligand-Target Pair
Amyloid Binding Alcohol Dehydrogenase (Homo sapiens (Human))	BDBM232923 (US9346839, 4) Show SMILES COC(=O)c1cc(ccc1O)[C@H](Nc1nc2ccc(OC)cc2s1)P(=O)(OC)OC Show InChI InChI=1S/C19H21N2O7PS/c1-25-12-6-7-14-16(10-12)30-19(20-14)21-17(29(24,27-3)28-4)11-5-8-15(22)13(9-11)18(23)26-2/h5-10,17,22H,1-4H3,(H,20,21)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		9.66E+4	n/a	3.41E+5	496	n/a	n/a	n/a	n/a	n/a
University of Kansas US Patent					Assay Description The interactions between compounds and ABAD were performed using the dual flow cell BIACORE 3000 instrument. Surface Plasmon Resonance (SPR) studies ...				US Patent US9346839 (2016) BindingDB Entry DOI: 10.7270/Q2J1022N
					More data for this Ligand-Target Pair
Amyloid Binding Alcohol Dehydrogenase (Homo sapiens (Human))	BDBM232931 (US9346839, 15) Show SMILES COc1ccc2nc(N[C@@H](c3ccc(F)cc3)P(=O)(OC)OC)sc2c1 Show InChI InChI=1S/C17H18FN2O4PS/c1-22-13-8-9-14-15(10-13)26-17(19-14)20-16(25(21,23-2)24-3)11-4-6-12(18)7-5-11/h4-10,16H,1-3H3,(H,19,20)/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		3.56E+5	n/a	1.26E+6	264	n/a	n/a	n/a	n/a	n/a
University of Kansas US Patent					Assay Description The interactions between compounds and ABAD were performed using the dual flow cell BIACORE 3000 instrument. Surface Plasmon Resonance (SPR) studies ...				US Patent US9346839 (2016) BindingDB Entry DOI: 10.7270/Q2J1022N
					More data for this Ligand-Target Pair