BDBM50113966 CHEMBL3605496

SMILES: Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2ccc(F)cc2)cc1

InChI Key: InChIKey=PXBKFXDPVCGEAM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50113966   

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))	BDBM50113966 (CHEMBL3605496) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2ccc(F)cc2)cc1 |t:17| Show InChI InChI=1S/C23H21FN4O2/c24-18-11-9-16(10-12-18)21-14-30-23(28-21)26-13-15-5-7-17(8-6-15)22(29)27-20-4-2-1-3-19(20)25/h1-12,21H,13-14,25H2,(H,26,28)(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr 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
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50113966 (CHEMBL3605496) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2ccc(F)cc2)cc1 |t:17| Show InChI InChI=1S/C23H21FN4O2/c24-18-11-9-16(10-12-18)21-14-30-23(28-21)26-13-15-5-7-17(8-6-15)22(29)27-20-4-2-1-3-19(20)25/h1-12,21H,13-14,25H2,(H,26,28)(H,27,29)	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	3.39E+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))	BDBM50113966 (CHEMBL3605496) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2ccc(F)cc2)cc1 |t:17| Show InChI InChI=1S/C23H21FN4O2/c24-18-11-9-16(10-12-18)21-14-30-23(28-21)26-13-15-5-7-17(8-6-15)22(29)27-20-4-2-1-3-19(20)25/h1-12,21H,13-14,25H2,(H,26,28)(H,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	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
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50113966 (CHEMBL3605496) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC2=NC(CO2)c2ccc(F)cc2)cc1 |t:17| Show InChI InChI=1S/C23H21FN4O2/c24-18-11-9-16(10-12-18)21-14-30-23(28-21)26-13-15-5-7-17(8-6-15)22(29)27-20-4-2-1-3-19(20)25/h1-12,21H,13-14,25H2,(H,26,28)(H,27,29)	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	150	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