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SMILES: CCCc1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O

InChI Key: InChIKey=SOTMROXSYBGQBW-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 225719   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225719 (hsp90_12) Show SMILES CCCc1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-3.82,-7.9,;-2.31,-7.58,;-1.84,-6.12,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;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,)| Show InChI InChI=1S/C16H16N2O3/c1-2-5-10-8-13(15(20)9-14(10)19)18-12-7-4-3-6-11(12)17-16(18)21/h3-4,6-9,19-20H,2,5H2,1H3,(H,17,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	29.2	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225719 (hsp90_12) Show SMILES CCCc1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-3.82,-7.9,;-2.31,-7.58,;-1.84,-6.12,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;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,)| Show InChI InChI=1S/C16H16N2O3/c1-2-5-10-8-13(15(20)9-14(10)19)18-12-7-4-3-6-11(12)17-16(18)21/h3-4,6-9,19-20H,2,5H2,1H3,(H,17,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	n/a	68.6	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description ITC				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225719 (hsp90_12) Show SMILES CCCc1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-3.82,-7.9,;-2.31,-7.58,;-1.84,-6.12,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;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,)| Show InChI InChI=1S/C16H16N2O3/c1-2-5-10-8-13(15(20)9-14(10)19)18-12-7-4-3-6-11(12)17-16(18)21/h3-4,6-9,19-20H,2,5H2,1H3,(H,17,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair				3D Structure (crystal)