Compounds in cluster

There are 25 purchasable compounds for target: AID(59)

Wt: 286.2 BDBM7459 Purchase	Wt: 264.3 BDBM17747 Purchase	Wt: 241.2 BDBM21360 Purchase	Wt: 138.1 BDBM26193 Purchase	Wt: 365.5 BDBM75309 Purchase
Wt: 266.2 BDBM108083 Purchase	Wt: 256.3 BDBM50052701 Purchase	Wt: 226.2 BDBM50052702 Purchase	Wt: 242.2 BDBM50052710 Purchase	Wt: 368.3 BDBM50067040 Purchase
Wt: 458.3 BDBM50070942 Purchase	Wt: 244.2 BDBM50074922 Purchase	Wt: 650.6 BDBM50079267 Purchase	Wt: 311.4 BDBM50089192 Purchase	Wt: 311.4 BDBM50089193 Purchase

Displayed 1 to 15 (of 34 total ) | Next | Last >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 7459,17747,21360,26193,75309,108083,50052701,50052702,50052710,50067040,50070942,50074922,50079267,50089192,50089193
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Beta amyloid A4 protein (Homo sapiens (human))	BDBM50067040 (((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]IMSB from beta amyloid protein 40				J Med Chem 49: 6111-9 (2006)
					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (human))	BDBM50052701 (2-(4-Aminophenyl)-6-methoxybenzothiazole \| 4-(6-Me...) Show SMILES COc1ccc2nc(sc2c1)-c1ccc(N)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003)
University of Pittsburgh Curated by ChEMBL					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (human))	BDBM50052702 (2-(4-Aminophenyl)benzothiazole \| 4-Benzothiazol-2-...) Show SMILES Nc1ccc(cc1)-c1nc2ccccc2s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003)
University of Pittsburgh Curated by ChEMBL					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (human))	BDBM50052710 (2-(4-Amino-phenyl)-benzothiazol-6-ol \| CHEMBL93884) Show SMILES Nc1ccc(cc1)-c1nc2ccc(O)cc2s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.				J Med Chem 46: 2740-54 (2003)
University of Pittsburgh Curated by ChEMBL					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (human))	BDBM17747 ((3Z)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-...) Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from amyloid beta (1 to 42) (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				Citation and Details
Washington University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (human))	BDBM21360 (7-ethoxy-3H-phenoxazin-3-one \| 7-ethoxyresorufin \|...) Show SMILES CCOc1ccc2nc3ccc(=O)cc3oc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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 ...				Citation and Details
WASHINGTON UNIVERSITY US Patent					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (human))	BDBM108083 (3-(4-nitrobenzylidene)indolin-2-one (Compound 24)) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of Thio-T from amyloid beta (1 to 42) (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay				Citation and Details
Washington University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (human))	BDBM50079267 (Congo Red \| Direct red 28 \| Kongorot \| Sodium diph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Displacement of [125I]6-iodo-4'-dimethyaminofl avone from beta amyloid (1-42) protein aggregates				J Med Chem 48: 7253-60 (2005)
Nagasaki University Curated by ChEMBL					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (human))	BDBM50079267 (Congo Red \| Direct red 28 \| Kongorot \| Sodium diph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Displacement of [125I]6-iodo-4'-dimethyaminofl avone from beta amyloid (1-40) protein aggregates				J Med Chem 48: 7253-60 (2005)
Nagasaki University Curated by ChEMBL					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (human))	BDBM26193 (2-Hydroxybenzoate, I \| 2-hydroxybenzoic acid \| CHE...) Show SMILES OC(=O)c1ccccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibitory activity against binding of [125I]-IMSB to amyloid beta in brain				Citation and Details
University of Pennsylvania Curated by ChEMBL					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (human))	BDBM75309 ((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of Amyloid beta (1 to 42) (unknown origin) aggregation assessed as amount of fibrils formation after 2 hrs by thioflavin T based spectrofl...				Bioorg Med Chem 23: 4688-98 (2015)
Universit£ degli Studi di Torino Curated by ChEMBL					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (human))	BDBM50067040 (((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation after 48 hrs by thioflavin T fluorescence assay				J Nat Prod 78: 1593-9 (2015)
Sun Yat-sen University Curated by ChEMBL					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (human))	BDBM50070942 ((-)-Epigallocatechin gallate \| (-)-Epigallocatechi...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation incubated at 37 degC for 16 hrs by thioflavin T fluorescence assay				J Nat Prod 78: 1221-30 (2015)
Jinan University Curated by ChEMBL					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (human))	BDBM50074922 ((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid \|...) Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chiesi Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)				J Med Chem 48: 5705-20 (2005)
Chiesi Farmaceutici S.p.A. Curated by ChEMBL					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (human))	BDBM50089193 (4-Fluoro-N-(1,3,3-trimethyl-bicyclo[2.2.1]hept-2-y...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Curated by ChEMBL					Assay Description Inhibition of Abeta42 production by inhibiting Gamma-secretase proteolytic pathway in HEK293 cell stably transfected with a double mutant form of hum...				Citation and Details
Amgen Curated by ChEMBL					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (human))	BDBM50089192 (4-Fluoro-N-(1,3,3-trimethyl-bicyclo[2.2.1]hept-2-y...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Curated by ChEMBL					Assay Description Inhibition of Abeta42 production by inhibiting Gamma-secretase proteolytic pathway in HEK293 cell stably transfected with a double mutant form of hum...				Citation and Details
Amgen Curated by ChEMBL					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (human))	BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...) Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Manufacturing Flagship (Biomedical) Curated by ChEMBL					Assay Description Inhibition of amyloid beta1-42 (unknown origin) aggregation assessed as amyloid fibril formation tested after 17 hrs by thioflavin T fluorescence met...				Bioorg Med Chem Lett 24: 3108-12 (2014)
					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (human))	BDBM50067040 (((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of amyloid beta42 fibril formation by thioflavin T formation				Bioorg Med Chem Lett 18: 5591-3 (2008)
Institute of Science and Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (human))	BDBM50070942 ((-)-Epigallocatechin gallate \| (-)-Epigallocatechi...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Manufacturing Flagship (Biomedical) Curated by ChEMBL					Assay Description Inhibition of amyloid beta1-42 (unknown origin) aggregation assessed as amyloid fibril formation tested after 17 hrs by thioflavin T fluorescence met...				Bioorg Med Chem Lett 24: 3108-12 (2014)
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 7459,17747,21360,26193,75309,108083,50052701,50052702,50052710,50067040,50070942,50074922,50079267,50089192,50089193
Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Transcriptional Regulator TtgR (Pseudomonas putida)	BDBM7459 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)	GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-7.12	-4.08	-3.05	5.14	7	30
Estacion Experimental del Zaidin		GoogleScholar PDB	CHEBI KEGG MMDB PC cid PC sid PDB		J Biol Chem 281: 7102-9 (2006)