BDBM50278274 CHEMBL4166084

SMILES: ONC(=O)\C=C\c1ccc(CNC2CC2c2ccccc2)cc1

InChI Key: InChIKey=VXQPRRASCRGURZ-ZHACJKMWSA-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 = 50278274   

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
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50278274 (CHEMBL4166084) Show SMILES ONC(=O)\C=C\c1ccc(CNC2CC2c2ccccc2)cc1 Show InChI InChI=1S/C19H20N2O2/c22-19(21-23)11-10-14-6-8-15(9-7-14)13-20-18-12-17(18)16-4-2-1-3-5-16/h1-11,17-18,20,23H,12-13H2,(H,21,22)/b11-10+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.94E+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 5 (Homo sapiens (Human))	BDBM50278274 (CHEMBL4166084) Show SMILES ONC(=O)\C=C\c1ccc(CNC2CC2c2ccccc2)cc1 Show InChI InChI=1S/C19H20N2O2/c22-19(21-23)11-10-14-6-8-15(9-7-14)13-20-18-12-17(18)16-4-2-1-3-5-16/h1-11,17-18,20,23H,12-13H2,(H,21,22)/b11-10+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.97E+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 2 (Homo sapiens (Human))	BDBM50278274 (CHEMBL4166084) Show SMILES ONC(=O)\C=C\c1ccc(CNC2CC2c2ccccc2)cc1 Show InChI InChI=1S/C19H20N2O2/c22-19(21-23)11-10-14-6-8-15(9-7-14)13-20-18-12-17(18)16-4-2-1-3-5-16/h1-11,17-18,20,23H,12-13H2,(H,21,22)/b11-10+	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	25	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50278274 (CHEMBL4166084) Show SMILES ONC(=O)\C=C\c1ccc(CNC2CC2c2ccccc2)cc1 Show InChI InChI=1S/C19H20N2O2/c22-19(21-23)11-10-14-6-8-15(9-7-14)13-20-18-12-17(18)16-4-2-1-3-5-16/h1-11,17-18,20,23H,12-13H2,(H,21,22)/b11-10+	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	12	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
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50278274 (CHEMBL4166084) Show SMILES ONC(=O)\C=C\c1ccc(CNC2CC2c2ccccc2)cc1 Show InChI InChI=1S/C19H20N2O2/c22-19(21-23)11-10-14-6-8-15(9-7-14)13-20-18-12-17(18)16-4-2-1-3-5-16/h1-11,17-18,20,23H,12-13H2,(H,21,22)/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant LSD1 (157 to 852 amino acids) (unknown origin) expressed in Escherichia coli BL21(DE) using H3K4me2 substrate by amplex red...				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))	BDBM50278274 (CHEMBL4166084) Show SMILES ONC(=O)\C=C\c1ccc(CNC2CC2c2ccccc2)cc1 Show InChI InChI=1S/C19H20N2O2/c22-19(21-23)11-10-14-6-8-15(9-7-14)13-20-18-12-17(18)16-4-2-1-3-5-16/h1-11,17-18,20,23H,12-13H2,(H,21,22)/b11-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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