BDBM50343377 2-Amino-4-[2,4-dichloro-6-(2-methoxyethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic Acid Cyclobutylamide::CHEMBL1774915

SMILES: COCCOc1cc(Cl)cc(Cl)c1-c1nc(N)nc2CN(Cc12)C(=O)NC1CCC1

InChI Key: InChIKey=WZLCFOXGYACZKU-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50343377   

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
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50343377 (2-Amino-4-[2,4-dichloro-6-(2-methoxyethoxy)phenyl]...) Show SMILES COCCOc1cc(Cl)cc(Cl)c1-c1nc(N)nc2CN(Cc12)C(=O)NC1CCC1 |(16.73,-47.61,;15.39,-46.84,;14.06,-47.62,;12.72,-46.85,;11.39,-47.63,;11.4,-49.17,;12.73,-49.93,;12.74,-51.48,;14.08,-52.24,;11.41,-52.25,;10.07,-51.48,;8.74,-52.25,;10.07,-49.94,;8.75,-49.17,;7.41,-49.95,;6.08,-49.17,;4.74,-49.94,;6.08,-47.63,;7.41,-46.86,;7.72,-45.36,;9.25,-45.19,;9.88,-46.59,;8.74,-47.62,;10.01,-43.85,;9.24,-42.52,;11.55,-43.85,;12.32,-42.51,;13.8,-42.11,;13.39,-40.62,;11.9,-41.03,)| Show InChI InChI=1S/C20H23Cl2N5O3/c1-29-5-6-30-16-8-11(21)7-14(22)17(16)18-13-9-27(10-15(13)25-19(23)26-18)20(28)24-12-3-2-4-12/h7-8,12H,2-6,9-10H2,1H3,(H,24,28)(H2,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scin...				J Med Chem 54: 3368-85 (2011) Article DOI: 10.1021/jm200128m BindingDB Entry DOI: 10.7270/Q2Z320M5
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