BDBM50278273 CHEMBL4173338

SMILES: ONC(=O)CCCCCCNC(=O)c1ccc(CNC2(CC2)c2ccccc2)cc1

InChI Key: InChIKey=VCBHRMLUMWBNCG-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50278273   

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
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50278273 (CHEMBL4173338) Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(CNC2(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C24H31N3O3/c28-22(27-30)10-6-1-2-7-17-25-23(29)20-13-11-19(12-14-20)18-26-24(15-16-24)21-8-4-3-5-9-21/h3-5,8-9,11-14,26,30H,1-2,6-7,10,15-18H2,(H,25,29)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50278273 (CHEMBL4173338) Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(CNC2(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C24H31N3O3/c28-22(27-30)10-6-1-2-7-17-25-23(29)20-13-11-19(12-14-20)18-26-24(15-16-24)21-8-4-3-5-9-21/h3-5,8-9,11-14,26,30H,1-2,6-7,10,15-18H2,(H,25,29)(H,27,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of TNF-alpha release was determined in LPS-stimulated human whole blood assay				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50278273 (CHEMBL4173338) Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(CNC2(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C24H31N3O3/c28-22(27-30)10-6-1-2-7-17-25-23(29)20-13-11-19(12-14-20)18-26-24(15-16-24)21-8-4-3-5-9-21/h3-5,8-9,11-14,26,30H,1-2,6-7,10,15-18H2,(H,25,29)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged full length human HDAC2 expressed in baculovirus expression system using Ac-peptide substrate incubated for 15 mi...				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50278273 (CHEMBL4173338) Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(CNC2(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C24H31N3O3/c28-22(27-30)10-6-1-2-7-17-25-23(29)20-13-11-19(12-14-20)18-26-24(15-16-24)21-8-4-3-5-9-21/h3-5,8-9,11-14,26,30H,1-2,6-7,10,15-18H2,(H,25,29)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of MAOB (unknown origin) using beetle luciferin as substrate by MAO-Glo assay				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50278273 (CHEMBL4173338) Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(CNC2(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C24H31N3O3/c28-22(27-30)10-6-1-2-7-17-25-23(29)20-13-11-19(12-14-20)18-26-24(15-16-24)21-8-4-3-5-9-21/h3-5,8-9,11-14,26,30H,1-2,6-7,10,15-18H2,(H,25,29)(H,27,28)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged and C-terminal FLAG-tagged human HDAC1 expressed in baculovirus expression system using Ac-peptide substrate incu...				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50278273 (CHEMBL4173338) Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(CNC2(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C24H31N3O3/c28-22(27-30)10-6-1-2-7-17-25-23(29)20-13-11-19(12-14-20)18-26-24(15-16-24)21-8-4-3-5-9-21/h3-5,8-9,11-14,26,30H,1-2,6-7,10,15-18H2,(H,25,29)(H,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of MAOA (unknown origin) using beetle luciferin as substrate by MAO-Glo assay				Eur J Med Chem 140: 392-402 (2017) Article DOI: 10.1016/j.ejmech.2017.09.038 BindingDB Entry DOI: 10.7270/Q2HH6NK6
					More data for this Ligand-Target Pair