BDBM50031730 CHEMBL3360310

SMILES: CCOc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1

InChI Key: InChIKey=YZMLUOHUAMGPGS-MRXNPFEDSA-N

Data: 1 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 1 hit for monomerid = 50031730   

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-alpha (Homo sapiens (Human))	BDBM50031730 (CHEMBL3360310) Show SMILES CCOc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r| Show InChI InChI=1S/C21H20FN5O2/c1-3-29-18-6-4-5-15(25-18)14-9-12(22)7-8-13(14)16-10-17-19(20(28)26-16)11(2)24-21(23)27-17/h4-9,16H,3,10H2,1-2H3,(H,26,28)(H2,23,24,27)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged HSP90-alpha (unknown origin) after 2 hrs by spectrophotometry				J Med Chem 57: 9124-9 (2014) Article DOI: 10.1021/jm501107q BindingDB Entry DOI: 10.7270/Q2M90B81
					More data for this Ligand-Target Pair