BDBM50540095 CHEMBL4643070

SMILES: C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)OCc1cn(CCCCCCC(=O)NO)nn1)c3=O

InChI Key: InChIKey=ZJSJZYZFLWCJCG-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 = 50540095   

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))	BDBM50540095 (CHEMBL4643070) Show SMILES C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)OCc1cn(CCCCCCC(=O)NO)nn1)c3=O |r| Show InChI InChI=1S/C28H36FN7O6/c1-18-16-41-27-24-20(13-22(29)25(27)34-11-9-33(2)10-12-34)26(38)21(15-36(18)24)28(39)42-17-19-14-35(32-30-19)8-6-4-3-5-7-23(37)31-40/h13-15,18,40H,3-12,16-17H2,1-2H3,(H,31,37)/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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