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BDBM279639 4-(2-(2-acetylaminopropyl)-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(2,4-dihydroxyl-5-isopropylphenyl)-N-ethylisoxazole-3-carboxamide::US10035792, Example 54

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

InChI Key: InChIKey=RPBYZIIQKXZFHR-UHFFFAOYSA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 279639   
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))
BDBM279639
PNG
(4-(2-(2-acetylaminopropyl)-1,2,3,4-tetrahydroisoqu...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc2CN(CCCNC(C)=O)CCc2c1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C29H36N4O5/c1-5-30-29(37)27-26(28(38-32-27)23-14-22(17(2)3)24(35)15-25(23)36)20-7-8-21-16-33(12-9-19(21)13-20)11-6-10-31-18(4)34/h7-8,13-15,17,35-36H,5-6,9-12,16H2,1-4H3,(H,30,37)(H,31,34)
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MMDB

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UniProtKB/SwissProt
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DrugBank
antibodypedia
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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