BDBM20911 5-(5-chloro-2,4-dihydroxyphenyl)-4-{3-[(4-acetylpiperazin-1-yl)methyl]phenyl}-N-ethyl-1,2-oxazole-3-carboxamide::Isoxazole, 31c::US10413550, Example 62::US9718793, 62

SMILES: CCNC(=O)c1noc(c1-c1cccc(CN2CCN(CC2)C(C)=O)c1)-c1cc(Cl)c(O)cc1O

InChI Key: InChIKey=XQXUVHNMUXVLDZ-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 = 20911   

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))	BDBM20911 (5-(5-chloro-2,4-dihydroxyphenyl)-4-{3-[(4-acetylpi...) Show SMILES CCNC(=O)c1noc(c1-c1cccc(CN2CCN(CC2)C(C)=O)c1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C25H27ClN4O5/c1-3-27-25(34)23-22(24(35-28-23)18-12-19(26)21(33)13-20(18)32)17-6-4-5-16(11-17)14-29-7-9-30(10-8-29)15(2)31/h4-6,11-13,32-33H,3,7-10,14H2,1-2H3,(H,27,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	239	n/a	6.76E+3	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...				J Med Chem 51: 196-218 (2008) Article DOI: 10.1021/jm701018h BindingDB Entry DOI: 10.7270/Q2JW8C5C
					More data for this Ligand-Target Pair
HSP90 (Homo sapiens (Human)-Alligator mississippiensis (A...)	BDBM20911 (5-(5-chloro-2,4-dihydroxyphenyl)-4-{3-[(4-acetylpi...) Show SMILES CCNC(=O)c1noc(c1-c1cccc(CN2CCN(CC2)C(C)=O)c1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C25H27ClN4O5/c1-3-27-25(34)23-22(24(35-28-23)18-12-19(26)21(33)13-20(18)32)17-6-4-5-16(11-17)14-29-7-9-30(10-8-29)15(2)31/h4-6,11-13,32-33H,3,7-10,14H2,1-2H3,(H,27,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research US Patent					Assay Description (1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...				US Patent US10413550 (2019) BindingDB Entry DOI: 10.7270/Q2C82CP2
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM20911 (5-(5-chloro-2,4-dihydroxyphenyl)-4-{3-[(4-acetylpi...) Show SMILES CCNC(=O)c1noc(c1-c1cccc(CN2CCN(CC2)C(C)=O)c1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C25H27ClN4O5/c1-3-27-25(34)23-22(24(35-28-23)18-12-19(26)21(33)13-20(18)32)17-6-4-5-16(11-17)14-29-7-9-30(10-8-29)15(2)31/h4-6,11-13,32-33H,3,7-10,14H2,1-2H3,(H,27,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research US Patent					Assay Description Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...				US Patent US9718793 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92DM
					More data for this Ligand-Target Pair