BDBM20891 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-({[2-(piperidin-1-yl)ethyl]amino}methyl)phenyl]-1H-pyrazole-5-carboxamide::Pyrazole, 20b

SMILES: CCNC(=O)c1[nH]nc(c1-c1cccc(CNCCN2CCCCC2)c1)-c1cc(Cl)c(O)cc1O

InChI Key: InChIKey=LBAOHMJIZKSWTK-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 = 20891   

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))	BDBM20891 (3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-({[2...) Show SMILES CCNC(=O)c1[nH]nc(c1-c1cccc(CNCCN2CCCCC2)c1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C26H32ClN5O3/c1-2-29-26(35)25-23(24(30-31-25)19-14-20(27)22(34)15-21(19)33)18-8-6-7-17(13-18)16-28-9-12-32-10-4-3-5-11-32/h6-8,13-15,28,33-34H,2-5,9-12,16H2,1H3,(H,29,35)(H,30,31)	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	1.00E+3	n/a	2.51E+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