BDBM50229198 CHEMBL400044::US9096559, 14::[4-(4-amino-biphenyl-3-ylcarbamoyl)-benzyl]-carbamic acid phenyl ester

SMILES: Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)Oc2ccccc2)cc1)-c1ccccc1

InChI Key: InChIKey=PKKKXJULINTEGW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50229198   

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 1 (Homo sapiens (Human))	BDBM50229198 (CHEMBL400044 | US9096559, 14 | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)Oc2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H23N3O3/c28-24-16-15-22(20-7-3-1-4-8-20)17-25(24)30-26(31)21-13-11-19(12-14-21)18-29-27(32)33-23-9-5-2-6-10-23/h1-17H,18,28H2,(H,29,32)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229198 (CHEMBL400044 | US9096559, 14 | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)Oc2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H23N3O3/c28-24-16-15-22(20-7-3-1-4-8-20)17-25(24)30-26(31)21-13-11-19(12-14-21)18-29-27(32)33-23-9-5-2-6-10-23/h1-17H,18,28H2,(H,29,32)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair