BDBM50160879 CHEMBL3793392::US9505736, (1S,2S,3S)-1-Fluoro-2-(4-(5- fluoropyrimidin-2-yl)phenyl)-N-hydroxy-3- phenylcyclopropanecarboxamide

SMILES: ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(F)cn1)c1ccccc1

InChI Key: InChIKey=MREATSZIGJDNKB-HLIPFELVSA-N

Data: 1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50160879   

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 4 (Homo sapiens (Human))	BDBM50160879 (CHEMBL3793392 | US9505736, (1S,2S,3S)-1-Fluoro-2-(...) Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(F)cn1)c1ccccc1 |r| Show InChI InChI=1S/C20H15F2N3O2/c21-15-10-23-18(24-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)20(17,22)19(26)25-27/h1-11,16-17,27H,(H,25,26)/t16-,17-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB PubMed	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
BioFocus Curated by ChEMBL					Assay Description Binding affinity to HDAC4 catalytic domain (unknown origin) by surface plasmon resonance assay				ACS Med Chem Lett 7: 34-9 (2016) BindingDB Entry DOI: 10.7270/Q22Z17DJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 4 (HDAC4) (Homo sapiens (Human))	BDBM50160879 (CHEMBL3793392 | US9505736, (1S,2S,3S)-1-Fluoro-2-(...) Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(F)cn1)c1ccccc1 |r| Show InChI InChI=1S/C20H15F2N3O2/c21-15-10-23-18(24-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)20(17,22)19(26)25-27/h1-11,16-17,27H,(H,25,26)/t16-,17-,20+/m1/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	8.0	25
CHDI Foundation, Inc. US Patent					Assay Description The potency of Class IIa Histone Deacetylase (HDAC) inhibitors is quantified by measuring the Histone Deacetylase 4 (HDAC4) catalytic domain enzymati...				US Patent US9505736 (2016) BindingDB Entry DOI: 10.7270/Q2T152KR
					More data for this Ligand-Target Pair				3D Structure (crystal)