BDBM50343366 2-Amino-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic Acid Ethylamide::CHEMBL1774905

SMILES: CCNC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCCC(F)(F)F

InChI Key: InChIKey=HTFXLKODKQAMGB-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 = 50343366   

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))	BDBM50343366 (2-Amino-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)p...) Show SMILES CCNC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCCC(F)(F)F |(33.65,-4.97,;32.11,-4.98,;31.34,-3.65,;29.8,-3.65,;29.02,-2.32,;29.03,-4.99,;27.51,-5.16,;27.19,-6.66,;25.87,-7.43,;25.86,-8.98,;24.53,-9.74,;27.2,-9.75,;28.53,-8.97,;28.53,-7.42,;29.66,-6.39,;29.86,-9.74,;29.86,-11.28,;28.53,-12.05,;31.19,-12.05,;32.53,-11.28,;33.86,-12.05,;32.52,-9.73,;31.19,-8.97,;31.18,-7.43,;32.51,-6.65,;33.85,-7.42,;35.18,-6.64,;36.51,-7.41,;37.85,-6.63,;36.52,-8.95,;37.84,-8.17,)| Show InChI InChI=1S/C19H20Cl2F3N5O2/c1-2-26-18(30)29-8-11-13(9-29)27-17(25)28-16(11)15-12(21)6-10(20)7-14(15)31-5-3-4-19(22,23)24/h6-7H,2-5,8-9H2,1H3,(H,26,30)(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	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
					More data for this Ligand-Target Pair