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 (Institution)	Ligand	Target 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 AffyNet	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 AffyNet	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 AffyNet	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 AffyNet	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 AffyNet	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				J Med Chem 58: 6002-17 (2015)
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 AffyNet	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)
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 AffyNet	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				J Med Chem 58: 6002-17 (2015)
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 AffyNet	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 AffyNet	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 AffyNet	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				J Med Chem 44: 2270-5 (2001)
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 AffyNet	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 AffyNet	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 AffyNet	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 AffyNet	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 AffyNet	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...				J Med Chem 43: 2297-9 (2000)
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 AffyNet	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...				J Med Chem 43: 2297-9 (2000)
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 AffyNet	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 AffyNet	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 AffyNet	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)