BDBM50031728 CHEMBL3360312

SMILES: COc1cncc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1

InChI Key: InChIKey=XRFHWSYKRFEPRA-CYBMUJFWSA-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 = 50031728   

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))	BDBM50031728 (CHEMBL3360312) Show SMILES COc1cncc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(=O)N1 |r| Show InChI InChI=1S/C19H17FN6O2/c1-9-17-14(26-19(21)23-9)6-13(25-18(17)27)11-4-3-10(20)5-12(11)15-7-22-8-16(24-15)28-2/h3-5,7-8,13H,6H2,1-2H3,(H,25,27)(H2,21,23,26)/t13-/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	10	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