BDBM50343375 2-Amino-4-[2,4-dichloro-6-(3-cyano-3,3-dimethylpropoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic Acid Cyclobutylamide::CHEMBL1774913

SMILES: CC(C)(CCOc1cc(Cl)cc(Cl)c1-c1nc(N)nc2CN(Cc12)C(=O)NC1CCC1)C#N

InChI Key: InChIKey=NXVNEXNPPMPXSH-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 = 50343375   

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))	BDBM50343375 (2-Amino-4-[2,4-dichloro-6-(3-cyano-3,3-dimethylpro...) Show SMILES CC(C)(CCOc1cc(Cl)cc(Cl)c1-c1nc(N)nc2CN(Cc12)C(=O)NC1CCC1)C#N |(43.48,-32.31,;44.26,-33.65,;45.02,-32.31,;42.93,-34.43,;41.59,-33.66,;40.26,-34.44,;40.27,-35.98,;41.6,-36.74,;41.61,-38.29,;42.95,-39.06,;40.28,-39.06,;38.94,-38.29,;37.61,-39.06,;38.94,-36.75,;37.62,-35.99,;36.28,-36.76,;34.95,-35.99,;33.61,-36.75,;34.95,-34.44,;36.28,-33.67,;36.59,-32.17,;38.12,-32,;38.75,-33.4,;37.61,-34.43,;38.88,-30.66,;38.11,-29.33,;40.42,-30.66,;41.19,-29.32,;42.66,-28.92,;42.26,-27.43,;40.77,-27.84,;45.6,-34.42,;46.93,-35.17,)| Show InChI InChI=1S/C23H26Cl2N6O2/c1-23(2,12-26)6-7-33-18-9-13(24)8-16(25)19(18)20-15-10-31(11-17(15)29-21(27)30-20)22(32)28-14-4-3-5-14/h8-9,14H,3-7,10-11H2,1-2H3,(H,28,32)(H2,27,29,30)	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	300	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