BDBM50511919 CHEMBL4562449

SMILES: CN(Cc1ccc(OCCCOc2ccc(CC(=O)NO)cc2)cc1)CC(O)(Cn1cncn1)c1ccc(F)cc1F

InChI Key: InChIKey=UVYCRTBNTSJPHN-UHFFFAOYSA-N

Data: 3 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 = 50511919   

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))	BDBM50511919 (CHEMBL4562449) Show SMILES CN(Cc1ccc(OCCCOc2ccc(CC(=O)NO)cc2)cc1)CC(O)(Cn1cncn1)c1ccc(F)cc1F Show InChI InChI=1S/C30H33F2N5O5/c1-36(18-30(39,19-37-21-33-20-34-37)27-12-7-24(31)16-28(27)32)17-23-5-10-26(11-6-23)42-14-2-13-41-25-8-3-22(4-9-25)15-29(38)35-40/h3-12,16,20-21,39-40H,2,13-15,17-19H2,1H3,(H,35,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of HDAC in HUVEC using Boc-Lys(Ac)-AMC as substrate preincubated for 12 hrs followed by substrate addition and measured after 4 hrs by flu...				J Med Chem 63: 5341-5359 (2020) Article DOI: 10.1021/acs.jmedchem.0c00102
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50511919 (CHEMBL4562449) Show SMILES CN(Cc1ccc(OCCCOc2ccc(CC(=O)NO)cc2)cc1)CC(O)(Cn1cncn1)c1ccc(F)cc1F Show InChI InChI=1S/C30H33F2N5O5/c1-36(18-30(39,19-37-21-33-20-34-37)27-12-7-24(31)16-28(27)32)17-23-5-10-26(11-6-23)42-14-2-13-41-25-8-3-22(4-9-25)15-29(38)35-40/h3-12,16,20-21,39-40H,2,13-15,17-19H2,1H3,(H,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 30 mins by fluorescence based assay				J Med Chem 63: 5341-5359 (2020) Article DOI: 10.1021/acs.jmedchem.0c00102
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM50511919 (CHEMBL4562449) Show SMILES CN(Cc1ccc(OCCCOc2ccc(CC(=O)NO)cc2)cc1)CC(O)(Cn1cncn1)c1ccc(F)cc1F Show InChI InChI=1S/C30H33F2N5O5/c1-36(18-30(39,19-37-21-33-20-34-37)27-12-7-24(31)16-28(27)32)17-23-5-10-26(11-6-23)42-14-2-13-41-25-8-3-22(4-9-25)15-29(38)35-40/h3-12,16,20-21,39-40H,2,13-15,17-19H2,1H3,(H,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) after 30 mins by fluorescence based assay				J Med Chem 63: 5341-5359 (2020) Article DOI: 10.1021/acs.jmedchem.0c00102
					More data for this Ligand-Target Pair