BDBM50182710 4-chloro-6-(4-(4-phenethylpiperazin-1-yl)-1H-pyrazol-3-yl)benzene-1,3-diol::CHEMBL377516

SMILES: Oc1cc(O)c(cc1Cl)-c1n[nH]cc1N1CCN(CCc2ccccc2)CC1

InChI Key: InChIKey=VUODWMIXNCDZIX-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 = 50182710   

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))	BDBM50182710 (4-chloro-6-(4-(4-phenethylpiperazin-1-yl)-1H-pyraz...) Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C21H23ClN4O2/c22-17-12-16(19(27)13-20(17)28)21-18(14-23-24-21)26-10-8-25(9-11-26)7-6-15-4-2-1-3-5-15/h1-5,12-14,27-28H,6-11H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+3	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
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50182710 (4-chloro-6-(4-(4-phenethylpiperazin-1-yl)-1H-pyraz...) Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C21H23ClN4O2/c22-17-12-16(19(27)13-20(17)28)21-18(14-23-24-21)26-10-8-25(9-11-26)7-6-15-4-2-1-3-5-15/h1-5,12-14,27-28H,6-11H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.55E+4	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