BDBM50160874 CHEMBL3794485::US9505736, (1S,2S,3S)-2-(4-(5- (Difluoromethoxy)pyrimidin-2-yl)phenyl)-1- fluoro-N-hydroxy-3- phenylcyclopropanecarboxamide

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

InChI Key: InChIKey=RUTGGTYDBCHEPE-LZJOCLMNSA-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 = 50160874   

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 (HDAC4) (Homo sapiens (Human))	BDBM50160874 (CHEMBL3794485 | US9505736, (1S,2S,3S)-2-(4-(5- (Di...) Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(OC(F)F)cn1)c1ccccc1 |r| Show InChI InChI=1S/C21H16F3N3O3/c22-20(23)30-15-10-25-18(26-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)21(17,24)19(28)27-29/h1-11,16-17,20,29H,(H,27,28)/t16-,17-,21+/m1/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	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
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50160874 (CHEMBL3794485 | US9505736, (1S,2S,3S)-2-(4-(5- (Di...) Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(OC(F)F)cn1)c1ccccc1 |r| Show InChI InChI=1S/C21H16F3N3O3/c22-20(23)30-15-10-25-18(26-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)21(17,24)19(28)27-29/h1-11,16-17,20,29H,(H,27,28)/t16-,17-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
BioFocus Curated by ChEMBL					Assay Description Inhibition of HDAC4 in human Jurkat E6-1 cells using Lys-TFA as substrate				ACS Med Chem Lett 7: 34-9 (2016) BindingDB Entry DOI: 10.7270/Q22Z17DJ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50160874 (CHEMBL3794485 | US9505736, (1S,2S,3S)-2-(4-(5- (Di...) Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(OC(F)F)cn1)c1ccccc1 |r| Show InChI InChI=1S/C21H16F3N3O3/c22-20(23)30-15-10-25-18(26-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)21(17,24)19(28)27-29/h1-11,16-17,20,29H,(H,27,28)/t16-,17-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
BioFocus Curated by ChEMBL					Assay Description Inhibition of HDAC4 catalytic domain (unknown origin) using Boc-Lys(TFA)-AMC as substrate				ACS Med Chem Lett 7: 34-9 (2016) BindingDB Entry DOI: 10.7270/Q22Z17DJ
					More data for this Ligand-Target Pair