BDBM20889 4-(4-{[bis(2-hydroxyethyl)amino]methyl}phenyl)-3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1H-pyrazole-5-carboxamide::Pyrazole, 19g

SMILES: CCNC(=O)c1[nH]nc(c1-c1ccc(CN(CCO)CCO)cc1)-c1cc(Cl)c(O)cc1O

InChI Key: InChIKey=BKMVVZCNLNNZIC-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 = 20889   

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))	BDBM20889 (4-(4-{[bis(2-hydroxyethyl)amino]methyl}phenyl)-3-(...) Show SMILES CCNC(=O)c1[nH]nc(c1-c1ccc(CN(CCO)CCO)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C23H27ClN4O5/c1-2-25-23(33)22-20(21(26-27-22)16-11-17(24)19(32)12-18(16)31)15-5-3-14(4-6-15)13-28(7-9-29)8-10-30/h3-6,11-12,29-32H,2,7-10,13H2,1H3,(H,25,33)(H,26,27)	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	142	n/a	7.80E+3	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