Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 7445   

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-beta precursor protein (Homo sapiens (Human))	BDBM195597 (US9216974, WC-5-5) Show SMILES COc1ccc(COc2ccc3nc4ccc(=O)cc4oc3c2)cc1 Show InChI InChI=1S/C20H15NO4/c1-23-15-5-2-13(3-6-15)12-24-16-7-9-18-20(11-16)25-19-10-14(22)4-8-17(19)21-18/h2-11H,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	218	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...				US Patent US9216974 (2015) BindingDB Entry DOI: 10.7270/Q2WD3ZCG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM21360 (7-ethoxy-3H-phenoxazin-3-one | 7-ethoxyresorufin |...) Show SMILES CCOc1ccc2nc3ccc(=O)cc3oc2c1 Show InChI InChI=1S/C14H11NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h3-8H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents	US Patent	262	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...				US Patent US9216974 (2015) BindingDB Entry DOI: 10.7270/Q2WD3ZCG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM195592 (US9216974, WC-5-42) Show SMILES COCCOc1ccc2nc3ccc(=O)cc3oc2c1 Show InChI InChI=1S/C15H13NO4/c1-18-6-7-19-11-3-5-13-15(9-11)20-14-8-10(17)2-4-12(14)16-13/h2-5,8-9H,6-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	347	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...				US Patent US9216974 (2015) BindingDB Entry DOI: 10.7270/Q2WD3ZCG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM195593 (US9216974, WC-5-43) Show SMILES COCCOCCOc1ccc2nc3ccc(=O)cc3oc2c1 Show InChI InChI=1S/C17H17NO5/c1-20-6-7-21-8-9-22-13-3-5-15-17(11-13)23-16-10-12(19)2-4-14(16)18-15/h2-5,10-11H,6-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...				US Patent US9216974 (2015) BindingDB Entry DOI: 10.7270/Q2WD3ZCG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM195594 (US9216974, WC-5-45) Show SMILES COc1ccc(OCCOc2ccc3nc4ccc(=O)cc4oc3c2)cc1 Show InChI InChI=1S/C21H17NO5/c1-24-15-3-5-16(6-4-15)25-10-11-26-17-7-9-19-21(13-17)27-20-12-14(23)2-8-18(20)22-19/h2-9,12-13H,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	421	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...				US Patent US9216974 (2015) BindingDB Entry DOI: 10.7270/Q2WD3ZCG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM195596 (US9216974, WC-5-8) Show SMILES CC(=O)OCCOc1ccc2nc3ccc(=O)cc3oc2c1 Show InChI InChI=1S/C16H13NO5/c1-10(18)20-6-7-21-12-3-5-14-16(9-12)22-15-8-11(19)2-4-13(15)17-14/h2-5,8-9H,6-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...				US Patent US9216974 (2015) BindingDB Entry DOI: 10.7270/Q2WD3ZCG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM195600 (US9216974, WC-5-1) Show SMILES O=c1ccc2nc3ccc(OC#C)cc3oc2c1 Show InChI InChI=1S/C14H7NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h1,3-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...				US Patent US9216974 (2015) BindingDB Entry DOI: 10.7270/Q2WD3ZCG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM195584 (US9216974, Methoxy-resorufin) Show SMILES COc1ccc2nc3ccc(=O)cc3oc2c1 Show InChI InChI=1S/C13H9NO3/c1-16-9-3-5-11-13(7-9)17-12-6-8(15)2-4-10(12)14-11/h2-7H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	4.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...				US Patent US9216974 (2015) BindingDB Entry DOI: 10.7270/Q2WD3ZCG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM195589 (US9216974, WC-5-47) Show SMILES COc1ccc(OCCOCCOc2ccc3nc4ccc(=O)cc4oc3c2)cc1 Show InChI InChI=1S/C23H21NO6/c1-26-17-3-5-18(6-4-17)28-12-10-27-11-13-29-19-7-9-21-23(15-19)30-22-14-16(25)2-8-20(22)24-21/h2-9,14-15H,10-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...				US Patent US9216974 (2015) BindingDB Entry DOI: 10.7270/Q2WD3ZCG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM195588 (US9216974, WC-5-31) Show SMILES Ic1ccc(COc2ccc3nc4ccc(=O)cc4oc3c2)cc1 Show InChI InChI=1S/C19H12INO3/c20-13-3-1-12(2-4-13)11-23-15-6-8-17-19(10-15)24-18-9-14(22)5-7-16(18)21-17/h1-10H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...				US Patent US9216974 (2015) BindingDB Entry DOI: 10.7270/Q2WD3ZCG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM195595 (US9216974, WC-5-9) Show SMILES BrCCOc1ccc2nc3ccc(=O)cc3oc2c1 Show InChI InChI=1S/C14H10BrNO3/c15-5-6-18-10-2-4-12-14(8-10)19-13-7-9(17)1-3-11(13)16-12/h1-4,7-8H,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	927	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...				US Patent US9216974 (2015) BindingDB Entry DOI: 10.7270/Q2WD3ZCG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM195598 (US9216974, WC-5-4) Show SMILES COc1cccc(COc2ccc3nc4ccc(=O)cc4oc3c2)c1 Show InChI InChI=1S/C20H15NO4/c1-23-15-4-2-3-13(9-15)12-24-16-6-8-18-20(11-16)25-19-10-14(22)5-7-17(19)21-18/h2-11H,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	537	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...				US Patent US9216974 (2015) BindingDB Entry DOI: 10.7270/Q2WD3ZCG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM195585 (US9216974, WC-5-3) Show SMILES FCCn1cc(COc2ccc3nc4ccc(=O)cc4oc3c2)nn1 Show InChI InChI=1S/C17H13FN4O3/c18-5-6-22-9-11(20-21-22)10-24-13-2-4-15-17(8-13)25-16-7-12(23)1-3-14(16)19-15/h1-4,7-9H,5-6,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2.38E+3	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...				US Patent US9216974 (2015) BindingDB Entry DOI: 10.7270/Q2WD3ZCG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM195599 (US9216974, WC-5-2) Show SMILES FCCOc1ccc2nc3ccc(=O)cc3oc2c1 Show InChI InChI=1S/C14H10FNO3/c15-5-6-18-10-2-4-12-14(8-10)19-13-7-9(17)1-3-11(13)16-12/h1-4,7-8H,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...				US Patent US9216974 (2015) BindingDB Entry DOI: 10.7270/Q2WD3ZCG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM195600 (US9216974, WC-5-1) Show SMILES O=c1ccc2nc3ccc(OC#C)cc3oc2c1 Show InChI InChI=1S/C14H7NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h1,3-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	828	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...				US Patent US9216974 (2015) BindingDB Entry DOI: 10.7270/Q2WD3ZCG
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM195591 (US9216974,Resorufin | US9333197, Resorufin) Show SMILES Oc1ccc2nc3ccc(=O)cc3oc2c1 Show InChI InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a
WASHINGTON UNIVERSITY US Patent					Assay Description To determine the Ki values, fixed brain tissues prepared from 15-month-old Tg2576 mice (N=5) will be incubated for 30 min with 1 μM methoxy-X34 ...				US Patent US9216974 (2015) BindingDB Entry DOI: 10.7270/Q2WD3ZCG
					More data for this Ligand-Target Pair