BDBM20895 3-(5-chloro-2,4-dihydroxyphenyl)-4-{3-[(4-acetylpiperazin-1-yl)methyl]phenyl}-N-ethyl-1H-pyrazole-5-carboxamide::Pyrazole, 20f

SMILES: CCNC(=O)c1[nH]nc(c1-c1cccc(CN2CCN(CC2)C(C)=O)c1)-c1cc(Cl)c(O)cc1O

InChI Key: InChIKey=AZEGMEKACILFCM-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 20895   

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))	BDBM20895 (3-(5-chloro-2,4-dihydroxyphenyl)-4-{3-[(4-acetylpi...) Show SMILES CCNC(=O)c1[nH]nc(c1-c1cccc(CN2CCN(CC2)C(C)=O)c1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C25H28ClN5O4/c1-3-27-25(35)24-22(23(28-29-24)18-12-19(26)21(34)13-20(18)33)17-6-4-5-16(11-17)14-30-7-9-31(10-8-30)15(2)32/h4-6,11-13,33-34H,3,7-10,14H2,1-2H3,(H,27,35)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	3.27E+4	n/a	n/a	7.4	22
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