BDBM50278275 CHEMBL4162637

SMILES: Nc1ccccc1NC(=O)c1ccc(CNC2CC2c2ccccc2)cc1

InChI Key: InChIKey=LIYQACIRFGXYBN-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50278275   

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 2 (Homo sapiens (Human))	BDBM50278275 (CHEMBL4162637) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2CC2c2ccccc2)cc1 Show InChI InChI=1S/C23H23N3O/c24-20-8-4-5-9-21(20)26-23(27)18-12-10-16(11-13-18)15-25-22-14-19(22)17-6-2-1-3-7-17/h1-13,19,22,25H,14-15,24H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	413	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))	BDBM50278275 (CHEMBL4162637) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2CC2c2ccccc2)cc1 Show InChI InChI=1S/C23H23N3O/c24-20-8-4-5-9-21(20)26-23(27)18-12-10-16(11-13-18)15-25-22-14-19(22)17-6-2-1-3-7-17/h1-13,19,22,25H,14-15,24H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.16E+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 1 (Homo sapiens (Human))	BDBM50278275 (CHEMBL4162637) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2CC2c2ccccc2)cc1 Show InChI InChI=1S/C23H23N3O/c24-20-8-4-5-9-21(20)26-23(27)18-12-10-16(11-13-18)15-25-22-14-19(22)17-6-2-1-3-7-17/h1-13,19,22,25H,14-15,24H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	218	n/a	n/a	n/a	n/a	n/a	n/a
Xinxiang Medical University Curated by ChEMBL					Assay Description Tested in vitro for histamine H3 receptor mediate inhibition of neurogenic contractions in guinea pig isolated ileum 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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50278275 (CHEMBL4162637) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2CC2c2ccccc2)cc1 Show InChI InChI=1S/C23H23N3O/c24-20-8-4-5-9-21(20)26-23(27)18-12-10-16(11-13-18)15-25-22-14-19(22)17-6-2-1-3-7-17/h1-13,19,22,25H,14-15,24H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 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
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50278275 (CHEMBL4162637) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2CC2c2ccccc2)cc1 Show InChI InChI=1S/C23H23N3O/c24-20-8-4-5-9-21(20)26-23(27)18-12-10-16(11-13-18)15-25-22-14-19(22)17-6-2-1-3-7-17/h1-13,19,22,25H,14-15,24H2,(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+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