BDBM50195132 CHEMBL387015::N-((S)-1,8-dioxo-1-(2-(2-phenyl-1H-indol-3-yl)ethylamino)nonan-2-yl)-1-methylpyrrolidine-3-carboxamide

SMILES: CN1CCC(C1)C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1

InChI Key: InChIKey=ZLBAKXHFMPRKNL-AZKKKJBWSA-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 = 50195132   

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))	BDBM50195132 (CHEMBL387015 | N-((S)-1,8-dioxo-1-(2-(2-phenyl-1H-...) Show SMILES CN1CCC(C1)C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C31H40N4O3/c1-22(36)11-5-3-8-16-28(34-30(37)24-18-20-35(2)21-24)31(38)32-19-17-26-25-14-9-10-15-27(25)33-29(26)23-12-6-4-7-13-23/h4,6-7,9-10,12-15,24,28,33H,3,5,8,11,16-21H2,1-2H3,(H,32,38)(H,34,37)/t24?,28-/m0/s1	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	220	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1 (mean IC50)				Bioorg Med Chem Lett 16: 5948-52 (2006) Article DOI: 10.1016/j.bmcl.2006.09.002 BindingDB Entry DOI: 10.7270/Q2RN38PD
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50195132 (CHEMBL387015 | N-((S)-1,8-dioxo-1-(2-(2-phenyl-1H-...) Show SMILES CN1CCC(C1)C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C31H40N4O3/c1-22(36)11-5-3-8-16-28(34-30(37)24-18-20-35(2)21-24)31(38)32-19-17-26-25-14-9-10-15-27(25)33-29(26)23-12-6-4-7-13-23/h4,6-7,9-10,12-15,24,28,33H,3,5,8,11,16-21H2,1-2H3,(H,32,38)(H,34,37)/t24?,28-/m0/s1	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Inhibition of HDAC1 from human HeLa cells				J Med Chem 51: 1505-29 (2008) Article DOI: 10.1021/jm7011408 BindingDB Entry DOI: 10.7270/Q2M32WMT
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50195132 (CHEMBL387015 | N-((S)-1,8-dioxo-1-(2-(2-phenyl-1H-...) Show SMILES CN1CCC(C1)C(=O)N[C@@H](CCCCCC(C)=O)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C31H40N4O3/c1-22(36)11-5-3-8-16-28(34-30(37)24-18-20-35(2)21-24)31(38)32-19-17-26-25-14-9-10-15-27(25)33-29(26)23-12-6-4-7-13-23/h4,6-7,9-10,12-15,24,28,33H,3,5,8,11,16-21H2,1-2H3,(H,32,38)(H,34,37)/t24?,28-/m0/s1	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	220	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Inhibition of human HDAC1				J Med Chem 51: 1505-29 (2008) Article DOI: 10.1021/jm7011408 BindingDB Entry DOI: 10.7270/Q2M32WMT
					More data for this Ligand-Target Pair