BDBM50540098 CHEMBL4649154

SMILES: C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)NCc1cn(CCCCCCC(=O)NO)nn1)c3=O

InChI Key: InChIKey=GPJRXPAGXOISLS-SFHVURJKSA-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 = 50540098   

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
Histone deacetylase (Homo sapiens (Human))	BDBM50540098 (CHEMBL4649154) Show SMILES C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)NCc1cn(CCCCCCC(=O)NO)nn1)c3=O |r| Show InChI InChI=1S/C28H37FN8O5/c1-18-17-42-27-24-20(13-22(29)25(27)35-11-9-34(2)10-12-35)26(39)21(16-37(18)24)28(40)30-14-19-15-36(33-31-19)8-6-4-3-5-7-23(38)32-41/h13,15-16,18,41H,3-12,14,17H2,1-2H3,(H,30,40)(H,32,38)/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Qilu University of Technology (Shandong Academy of Sciences) Curated by ChEMBL					Assay Description Inhibition of HDAC (unknown origin)				Eur J Med Chem 165: 59-79 (2019)
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