BDBM50229189 CHEMBL253868::US9096559, 2a::[4-(4-amino-biphenyl-3-ylcarbamoyl)-benzyl]-carbamic acid pyridin-3-ylmethyl ester

SMILES: Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1

InChI Key: InChIKey=AXVLWKBVIHOIQB-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50229189   

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))	BDBM50229189 (CHEMBL253868 | US9096559, 2a | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)31-26(32)22-10-8-19(9-11-22)17-30-27(33)34-18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	10	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
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50229189 (CHEMBL253868 | US9096559, 2a | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)31-26(32)22-10-8-19(9-11-22)17-30-27(33)34-18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC5				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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50229189 (CHEMBL253868 | US9096559, 2a | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)31-26(32)22-10-8-19(9-11-22)17-30-27(33)34-18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK-499 from ERG expressed in HEK293 cells				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 2 (Homo sapiens (Human))	BDBM50229189 (CHEMBL253868 | US9096559, 2a | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)31-26(32)22-10-8-19(9-11-22)17-30-27(33)34-18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC2				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 3 (Homo sapiens (Human))	BDBM50229189 (CHEMBL253868 | US9096559, 2a | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)31-26(32)22-10-8-19(9-11-22)17-30-27(33)34-18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC3				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 8 (Homo sapiens (Human))	BDBM50229189 (CHEMBL253868 | US9096559, 2a | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)31-26(32)22-10-8-19(9-11-22)17-30-27(33)34-18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC8				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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50229189 (CHEMBL253868 | US9096559, 2a | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)31-26(32)22-10-8-19(9-11-22)17-30-27(33)34-18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC6				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 7 (Homo sapiens (Human))	BDBM50229189 (CHEMBL253868 | US9096559, 2a | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)31-26(32)22-10-8-19(9-11-22)17-30-27(33)34-18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC7				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))	BDBM50229189 (CHEMBL253868 | US9096559, 2a | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)31-26(32)22-10-8-19(9-11-22)17-30-27(33)34-18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	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