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BDBM50343381 2-Amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic Acid Amide::CHEMBL1774919

SMILES: NC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1

InChI Key: InChIKey=CLBWVYOGTAGFNH-UHFFFAOYSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50343381   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50343381
PNG
(2-Amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)ph...)
Show SMILES NC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1 |(12.06,3.36,;10.52,3.36,;9.74,4.69,;9.75,2.02,;8.23,1.85,;7.91,.35,;6.59,-.42,;6.58,-1.97,;5.25,-2.73,;7.92,-2.74,;9.25,-1.96,;9.25,-.41,;10.39,.62,;10.58,-2.73,;10.58,-4.27,;9.25,-5.04,;11.91,-5.04,;13.25,-4.27,;14.58,-5.03,;13.24,-2.72,;11.91,-1.96,;11.9,-.42,;13.23,.36,;14.57,-.41,;15.9,.37,;17.3,-.25,;18.33,.9,;17.55,2.23,;16.05,1.9,)|
Show InChI InChI=1S/C18H17Cl2N7O2/c19-10-6-12(20)15(14(7-10)29-5-4-27-3-1-2-23-27)16-11-8-26(18(22)28)9-13(11)24-17(21)25-16/h1-3,6-7H,4-5,8-9H2,(H2,22,28)(H2,21,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
35n/an/an/an/an/an/an/an/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