BDBM50005790 CHEMBL3235858

SMILES: Cc1ncc2CN(CCc2n1)C(=O)c1cc(Cl)c(O)cc1O

InChI Key: InChIKey=OIYQOJBOWPOPMU-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 3 hits for monomerid = 50005790   

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))	BDBM50005790 (CHEMBL3235858) Show SMILES Cc1ncc2CN(CCc2n1)C(=O)c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C15H14ClN3O3/c1-8-17-6-9-7-19(3-2-12(9)18-8)15(22)10-4-11(16)14(21)5-13(10)20/h4-6,20-21H,2-3,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of full-length HSP90 (unknown origin) expressed in Escherichia coli assessed as inhibition of ATPase activity after 3 hrs by spectrophotom...				Eur J Med Chem 79: 399-412 (2014) Article DOI: 10.1016/j.ejmech.2014.03.061 BindingDB Entry DOI: 10.7270/Q2QJ7JTP
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50005790 (CHEMBL3235858) Show SMILES Cc1ncc2CN(CCc2n1)C(=O)c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C15H14ClN3O3/c1-8-17-6-9-7-19(3-2-12(9)18-8)15(22)10-4-11(16)14(21)5-13(10)20/h4-6,20-21H,2-3,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50005790 (CHEMBL3235858) Show SMILES Cc1ncc2CN(CCc2n1)C(=O)c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C15H14ClN3O3/c1-8-17-6-9-7-19(3-2-12(9)18-8)15(22)10-4-11(16)14(21)5-13(10)20/h4-6,20-21H,2-3,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of FITC-geldanamycin from HSP90 (unknown origin) after 30 mins by fluorescence polarization assay				Eur J Med Chem 79: 399-412 (2014) Article DOI: 10.1016/j.ejmech.2014.03.061 BindingDB Entry DOI: 10.7270/Q2QJ7JTP
					More data for this Ligand-Target Pair