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SMILES: CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC)cc(O)c2N=CCc1cnc[nH]1

InChI Key: InChIKey=HLQJCMCGELBLEB-JPCDLSLESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50249918   
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-beta


(Homo sapiens (Human))		BDBM50249918
PNG
((8S,9S,12S,13R,14S,16R)-19-(2-(1H-imidazol-4-yl)et...)
Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1OC)cc(O)c2N=CCc1cnc[nH]1 |r,w:17.16,14.14,39.40,t:28|
Show InChI InChI=1S/C34H47N5O8/c1-19-13-24-29(37-12-11-23-17-36-18-38-23)26(40)16-25(30(24)41)39-33(42)20(2)9-8-10-27(44-5)32(47-34(35)43)22(4)15-21(3)31(46-7)28(14-19)45-6/h8-10,12,15-19,21,27-28,31-32,40-41H,11,13-14H2,1-7H3,(H2,35,43)(H,36,38)(H,39,42)/b10-8?,20-9?,22-15+,37-12?/t19-,21+,27+,28+,31-,32+/m1/s1
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PubMed
n/an/an/a 2.00E+3n/an/an/an/an/a



Kosan Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant HSP90

J Med Chem 52: 3265-73 (2009)


Article DOI: 10.1021/jm900098v
BindingDB Entry DOI: 10.7270/Q2V40W5R
More data for this
Ligand-Target Pair