BDBM50481119 AZD-2184::CHEMBL570378

SMILES: CNc1ccc(cn1)-c1nc2ccc(O)cc2s1

InChI Key: InChIKey=FYTAUNFPOYWHBC-UHFFFAOYSA-N

Data: 1 KI  2 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50481119   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50481119 (AZD-2184 | CHEMBL570378) Show SMILES CNc1ccc(cn1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain by competitive binding assay				J Med Chem 53: 933-41 (2010) Article DOI: 10.1021/jm901039z BindingDB Entry DOI: 10.7270/Q2RX9FW6
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481119 (AZD-2184 | CHEMBL570378) Show SMILES CNc1ccc(cn1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]AZD2184 from human amyloid beta(1 to 40)				Bioorg Med Chem Lett 22: 4332-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.011 BindingDB Entry DOI: 10.7270/Q21N841M
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481119 (AZD-2184 | CHEMBL570378) Show SMILES CNc1ccc(cn1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Displacement of [3H]PIB from human amyloid beta (1 to 40) fibrils after 3 hrs by liquid scintillation counting				J Nat Prod 80: 278-289 (2017) Article DOI: 10.1021/acs.jnatprod.6b00643 BindingDB Entry DOI: 10.7270/Q2CR5XCM
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50481119 (AZD-2184 | CHEMBL570378) Show SMILES CNc1ccc(cn1)-c1nc2ccc(O)cc2s1 Show InChI InChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]PIB from human amyloid beta (1 to 40) after 30 mins by liquid scintillation counting				Bioorg Med Chem Lett 20: 1976-80 (2010) Article DOI: 10.1016/j.bmcl.2010.01.105 BindingDB Entry DOI: 10.7270/Q2J67KR6
					More data for this Ligand-Target Pair