BDBM50182718 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-5-methyl-1H-pyrazol-3-yl)-6-ethylbenzene-1,3-diol::CHEMBL204734

SMILES: CCc1cc(-c2n[nH]c(C)c2-c2cccc3OCCOc23)c(O)cc1O

InChI Key: InChIKey=VLQZFFMOEQUMBR-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50182718   

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 90 (Hsp90) (Homo sapiens (Human))	BDBM50182718 (4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-5-methy...) Show SMILES CCc1cc(-c2n[nH]c(C)c2-c2cccc3OCCOc23)c(O)cc1O |(4.51,-26.5,;3.36,-27.53,;3.68,-29.03,;5.15,-29.51,;5.47,-31.02,;6.93,-31.49,;7.4,-32.95,;8.94,-32.95,;9.42,-31.49,;10.88,-31.01,;8.17,-30.58,;8.16,-29.04,;6.83,-28.27,;6.83,-26.73,;8.17,-25.96,;9.5,-26.73,;10.82,-25.97,;12.15,-26.74,;12.14,-28.27,;10.81,-29.03,;9.5,-28.26,;4.33,-32.04,;4.65,-33.55,;2.87,-31.58,;2.54,-30.06,;1.07,-29.59,)| Show InChI InChI=1S/C20H20N2O4/c1-3-12-9-14(16(24)10-15(12)23)19-18(11(2)21-22-19)13-5-4-6-17-20(13)26-8-7-25-17/h4-6,9-10,23-24H,3,7-8H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Ltd Curated by ChEMBL					Assay Description Inhibition of HSP90 ATPase activity				Bioorg Med Chem Lett 16: 2543-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.099 BindingDB Entry DOI: 10.7270/Q2G44PWS
					More data for this Ligand-Target Pair
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50182718 (4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-5-methy...) Show SMILES CCc1cc(-c2n[nH]c(C)c2-c2cccc3OCCOc23)c(O)cc1O |(4.51,-26.5,;3.36,-27.53,;3.68,-29.03,;5.15,-29.51,;5.47,-31.02,;6.93,-31.49,;7.4,-32.95,;8.94,-32.95,;9.42,-31.49,;10.88,-31.01,;8.17,-30.58,;8.16,-29.04,;6.83,-28.27,;6.83,-26.73,;8.17,-25.96,;9.5,-26.73,;10.82,-25.97,;12.15,-26.74,;12.14,-28.27,;10.81,-29.03,;9.5,-28.26,;4.33,-32.04,;4.65,-33.55,;2.87,-31.58,;2.54,-30.06,;1.07,-29.59,)| Show InChI InChI=1S/C20H20N2O4/c1-3-12-9-14(16(24)10-15(12)23)19-18(11(2)21-22-19)13-5-4-6-17-20(13)26-8-7-25-17/h4-6,9-10,23-24H,3,7-8H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Ltd Curated by ChEMBL					Assay Description Inhibition of HSP90 by FP assay				Bioorg Med Chem Lett 16: 2543-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.099 BindingDB Entry DOI: 10.7270/Q2G44PWS
					More data for this Ligand-Target Pair