BDBM50113970 CHEMBL3605504

SMILES: Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)(c2ccccc2)c2ccccc2)cc1

InChI Key: InChIKey=SRIRSXLHDKCIBH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50113970   

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))	BDBM50113970 (CHEMBL3605504) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)(c2ccccc2)c2ccccc2)cc1 |t:17| Show InChI InChI=1S/C29H26N4O2/c30-25-13-7-8-14-26(25)32-27(34)22-17-15-21(16-18-22)19-31-28-33-29(20-35-28,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-18H,19-20,30H2,(H,31,33)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluo...				J Med Chem 58: 6803-18 (2015) BindingDB Entry DOI: 10.7270/Q26T0PFV
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50113970 (CHEMBL3605504) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)(c2ccccc2)c2ccccc2)cc1 |t:17| Show InChI InChI=1S/C29H26N4O2/c30-25-13-7-8-14-26(25)32-27(34)22-17-15-21(16-18-22)19-31-28-33-29(20-35-28,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-18H,19-20,30H2,(H,31,33)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition b...				J Med Chem 58: 6803-18 (2015) BindingDB Entry DOI: 10.7270/Q26T0PFV
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50113970 (CHEMBL3605504) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)(c2ccccc2)c2ccccc2)cc1 |t:17| Show InChI InChI=1S/C29H26N4O2/c30-25-13-7-8-14-26(25)32-27(34)22-17-15-21(16-18-22)19-31-28-33-29(20-35-28,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-18H,19-20,30H2,(H,31,33)(H,32,34)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay				J Med Chem 58: 6803-18 (2015) BindingDB Entry DOI: 10.7270/Q26T0PFV
					More data for this Ligand-Target Pair