BDBM50319232 6-{3-[2-phenethyl-1-(2-pyrrolidin-1-yl-ethyl)-1H-benzimidazole-5-carbonyl]-ureido}-hexanoic acid hydroxyamide::CHEMBL1084357

SMILES: ONC(=O)CCCCCNC(=O)NC(=O)c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1

InChI Key: InChIKey=FLEMUVTXATYOIZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50319232   

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))	BDBM50319232 (6-{3-[2-phenethyl-1-(2-pyrrolidin-1-yl-ethyl)-1H-b...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C29H38N6O4/c36-27(33-39)11-5-2-6-16-30-29(38)32-28(37)23-13-14-25-24(21-23)31-26(15-12-22-9-3-1-4-10-22)35(25)20-19-34-17-7-8-18-34/h1,3-4,9-10,13-14,21,39H,2,5-8,11-12,15-20H2,(H,33,36)(H2,30,32,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50319232 (6-{3-[2-phenethyl-1-(2-pyrrolidin-1-yl-ethyl)-1H-b...) Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C29H38N6O4/c36-27(33-39)11-5-2-6-16-30-29(38)32-28(37)23-13-14-25-24(21-23)31-26(15-12-22-9-3-1-4-10-22)35(25)20-19-34-17-7-8-18-34/h1,3-4,9-10,13-14,21,39H,2,5-8,11-12,15-20H2,(H,33,36)(H2,30,32,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation				Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX
					More data for this Ligand-Target Pair