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SMILES: Nc1nc(F)nc2n(CCCN3CCN(CCO)CC3)c(Cc3cc4OCOc4cc3I)nc12

InChI Key: InChIKey=WACFVUKKCVLSNG-UHFFFAOYSA-N

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 = 406712   
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
Hsp90 co-chaperone Cdc37


(Homo sapiens (Human))		BDBM406712
PNG
(US10336757, Compound PU-BSI3)
Show SMILES Nc1nc(F)nc2n(CCCN3CCN(CCO)CC3)c(Cc3cc4OCOc4cc3I)nc12
Show InChI InChI=1S/C22H27FIN7O3/c23-22-27-20(25)19-21(28-22)31(3-1-2-29-4-6-30(7-5-29)8-9-32)18(26-19)11-14-10-16-17(12-15(14)24)34-13-33-16/h10,12,32H,1-9,11,13H2,(H2,25,27,28)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 199n/an/an/an/a



Sloan-Kettering Institute for Cancer Research

US Patent


Assay Description
The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...

US Patent US10336757 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VF6
More data for this
Ligand-Target Pair