BDBM50148629 CHEMBL3769491

SMILES: [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)C[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)NCCCC(=O)NO

InChI Key: InChIKey=KEGNHRHLBGEVRZ-GGXPGOJBSA-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 = 50148629   

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 3 (Homo sapiens (Human))	BDBM50148629 (CHEMBL3769491) Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)C[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)NCCCC(=O)NO |r| Show InChI InChI=1S/C23H36N6O7/c1-13(2)19-22(34)25-14(20(32)24-9-3-8-17(30)27-36)12-18(31)28-10-5-7-16(28)23(35)29-11-4-6-15(29)21(33)26-19/h13-16,19,36H,3-12H2,1-2H3,(H,24,32)(H,25,34)(H,26,33)(H,27,30)/t14-,15-,16+,19-/m0/s1	PDB 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	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human KDAC3 using FITC-p53 acetylated peptide substrate incubated for 60 mins by microfluidic chip-based assay				J Med Chem 59: 1613-33 (2016) BindingDB Entry DOI: 10.7270/Q2SB47MP
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50148629 (CHEMBL3769491) Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)C[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)NCCCC(=O)NO |r| Show InChI InChI=1S/C23H36N6O7/c1-13(2)19-22(34)25-14(20(32)24-9-3-8-17(30)27-36)12-18(31)28-10-5-7-16(28)23(35)29-11-4-6-15(29)21(33)26-19/h13-16,19,36H,3-12H2,1-2H3,(H,24,32)(H,25,34)(H,26,33)(H,27,30)/t14-,15-,16+,19-/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	PubMed	n/a	n/a	5.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human KDAC6 using FITC-histone 4 acetylated peptide substrate incubated for 60 mins by microfluidic chip-based assay				J Med Chem 59: 1613-33 (2016) BindingDB Entry DOI: 10.7270/Q2SB47MP
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50148629 (CHEMBL3769491) Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)C[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)NCCCC(=O)NO |r| Show InChI InChI=1S/C23H36N6O7/c1-13(2)19-22(34)25-14(20(32)24-9-3-8-17(30)27-36)12-18(31)28-10-5-7-16(28)23(35)29-11-4-6-15(29)21(33)26-19/h13-16,19,36H,3-12H2,1-2H3,(H,24,32)(H,25,34)(H,26,33)(H,27,30)/t14-,15-,16+,19-/m0/s1	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human KDAC8 using FAM-labelled substrate B incubated for 60 mins by microfluidic chip-based assay				J Med Chem 59: 1613-33 (2016) BindingDB Entry DOI: 10.7270/Q2SB47MP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50148629 (CHEMBL3769491) Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)C[C@H](NC(=O)[C@@H](NC2=O)C(C)C)C(=O)NCCCC(=O)NO |r| Show InChI InChI=1S/C23H36N6O7/c1-13(2)19-22(34)25-14(20(32)24-9-3-8-17(30)27-36)12-18(31)28-10-5-7-16(28)23(35)29-11-4-6-15(29)21(33)26-19/h13-16,19,36H,3-12H2,1-2H3,(H,24,32)(H,25,34)(H,26,33)(H,27,30)/t14-,15-,16+,19-/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	PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human KDAC1 using FAM-labelled substrate A incubated for 60 mins by microfluidic chip-based assay				J Med Chem 59: 1613-33 (2016) BindingDB Entry DOI: 10.7270/Q2SB47MP
					More data for this Ligand-Target Pair