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BDBM279644 5-(2,4-dihydroxyl-5-isopropylphenyl)-4-(2-(2-(dimethylamino)acetyl)-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-ethylisoxazole-3-carboxamide::US10035792, Example 59

SMILES: CCNC(=O)c1noc(c1-c1ccc2CN(CCc2c1)C(=O)CN(C)C)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=BDPZJSDKABERAD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 279644   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM279644
PNG
(5-(2,4-dihydroxyl-5-isopropylphenyl)-4-(2-(2-(dime...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc2CN(CCc2c1)C(=O)CN(C)C)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C28H34N4O5/c1-6-29-28(36)26-25(27(37-30-26)21-12-20(16(2)3)22(33)13-23(21)34)18-7-8-19-14-32(10-9-17(19)11-18)24(35)15-31(4)5/h7-8,11-13,16,33-34H,6,9-10,14-15H2,1-5H3,(H,29,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 60n/an/an/an/a7.4n/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd

US Patent


Assay Description
The fluorescent labeled small molecule used in the present invention was VER-00051001 (synthesized by reference to the synthetic method described in ...


US Patent US10035792 (2018)


BindingDB Entry DOI: 10.7270/Q2W37ZBF
More data for this
Ligand-Target Pair