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SMILES: Oc1cc(O)c(cc1Cl)-n1c2ccc(cc2[nH]c1=O)N(=O)=O

InChI Key: InChIKey=LUOBGAJDKGXRFD-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 225716   
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))		BDBM225716
PNG
(hsp90_9)
Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(cc2[nH]c1=O)N(=O)=O |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;-.89,-3.19,;1.65,-4.01,;2.68,-5.16,;2.2,-6.62,;3.23,-7.77,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;7.59,1.78,;8.92,-.53,)|
Show InChI InChI=1S/C13H8ClN3O5/c14-7-4-10(12(19)5-11(7)18)16-9-2-1-6(17(21)22)3-8(9)15-13(16)20/h1-5,18-19H,(H,15,20)
PDB
MMDB

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PC cid
PC sid
UniChem
D3R
n/an/a 46.8n/an/an/an/an/an/a



D3R



Assay Description
FRET Assay 1

D3R 408: (2016)


BindingDB Entry DOI: 10.7270/Q2VX0FC0
More data for this
Ligand-Target Pair