BDBM50379129 CHEMBL2012814

SMILES: CCC(=O)CCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O

InChI Key: InChIKey=JNKZUXXSCHXOKY-HPEBZSCQSA-N

Data: 9 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 9 hits for monomerid = 50379129   

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/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50379129 (CHEMBL2012814) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C33H47N5O5/c1-4-24(39)11-6-5-7-14-27-31(41)37-28(18-22-20-34-26-13-9-8-12-25(22)26)32(42)35-23(17-21(2)3)19-30(40)38-16-10-15-29(38)33(43)36-27/h8-9,12-13,20-21,23,27-29,34H,4-7,10-11,14-19H2,1-3H3,(H,35,42)(H,36,43)(H,37,41)/t23-,27-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HDAC3-NCoR2 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometry				ACS Med Chem Lett 2: 703-707 (2011) Article DOI: 10.1021/ml200136e BindingDB Entry DOI: 10.7270/Q2GQ6ZRX
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50379129 (CHEMBL2012814) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C33H47N5O5/c1-4-24(39)11-6-5-7-14-27-31(41)37-28(18-22-20-34-26-13-9-8-12-25(22)26)32(42)35-23(17-21(2)3)19-30(40)38-16-10-15-29(38)33(43)36-27/h8-9,12-13,20-21,23,27-29,34H,4-7,10-11,14-19H2,1-3H3,(H,35,42)(H,36,43)(H,37,41)/t23-,27-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HDAC8 in human HeLa cells nuclear extract using Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 30 mins by spectrophotometry				ACS Med Chem Lett 2: 703-707 (2011) Article DOI: 10.1021/ml200136e BindingDB Entry DOI: 10.7270/Q2GQ6ZRX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50379129 (CHEMBL2012814) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C33H47N5O5/c1-4-24(39)11-6-5-7-14-27-31(41)37-28(18-22-20-34-26-13-9-8-12-25(22)26)32(42)35-23(17-21(2)3)19-30(40)38-16-10-15-29(38)33(43)36-27/h8-9,12-13,20-21,23,27-29,34H,4-7,10-11,14-19H2,1-3H3,(H,35,42)(H,36,43)(H,37,41)/t23-,27-,28-,29-/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	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometry				ACS Med Chem Lett 2: 703-707 (2011) Article DOI: 10.1021/ml200136e BindingDB Entry DOI: 10.7270/Q2GQ6ZRX
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50379129 (CHEMBL2012814) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C33H47N5O5/c1-4-24(39)11-6-5-7-14-27-31(41)37-28(18-22-20-34-26-13-9-8-12-25(22)26)32(42)35-23(17-21(2)3)19-30(40)38-16-10-15-29(38)33(43)36-27/h8-9,12-13,20-21,23,27-29,34H,4-7,10-11,14-19H2,1-3H3,(H,35,42)(H,36,43)(H,37,41)/t23-,27-,28-,29-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometry				ACS Med Chem Lett 2: 703-707 (2011) Article DOI: 10.1021/ml200136e BindingDB Entry DOI: 10.7270/Q2GQ6ZRX
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50379129 (CHEMBL2012814) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C33H47N5O5/c1-4-24(39)11-6-5-7-14-27-31(41)37-28(18-22-20-34-26-13-9-8-12-25(22)26)32(42)35-23(17-21(2)3)19-30(40)38-16-10-15-29(38)33(43)36-27/h8-9,12-13,20-21,23,27-29,34H,4-7,10-11,14-19H2,1-3H3,(H,35,42)(H,36,43)(H,37,41)/t23-,27-,28-,29-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Cell and Molecular Biology, The Scripps Research Institute, La Jolla, CA, USA; National Yang-Ming University, Taipei, Taiwan; National Yang-Ming University Hospital, Ilan, Taiwan. Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Bioorg Med Chem Lett 27: 3289-3293 (2017) Article DOI: 10.1016/j.bmcl.2017.06.027 BindingDB Entry DOI: 10.7270/Q2Z32238
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50379129 (CHEMBL2012814) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C33H47N5O5/c1-4-24(39)11-6-5-7-14-27-31(41)37-28(18-22-20-34-26-13-9-8-12-25(22)26)32(42)35-23(17-21(2)3)19-30(40)38-16-10-15-29(38)33(43)36-27/h8-9,12-13,20-21,23,27-29,34H,4-7,10-11,14-19H2,1-3H3,(H,35,42)(H,36,43)(H,37,41)/t23-,27-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Department of Cell and Molecular Biology, The Scripps Research Institute, La Jolla, CA, USA; National Yang-Ming University, Taipei, Taiwan; National Yang-Ming University Hospital, Ilan, Taiwan. Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin)				Bioorg Med Chem Lett 27: 3289-3293 (2017) Article DOI: 10.1016/j.bmcl.2017.06.027 BindingDB Entry DOI: 10.7270/Q2Z32238
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50379129 (CHEMBL2012814) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C33H47N5O5/c1-4-24(39)11-6-5-7-14-27-31(41)37-28(18-22-20-34-26-13-9-8-12-25(22)26)32(42)35-23(17-21(2)3)19-30(40)38-16-10-15-29(38)33(43)36-27/h8-9,12-13,20-21,23,27-29,34H,4-7,10-11,14-19H2,1-3H3,(H,35,42)(H,36,43)(H,37,41)/t23-,27-,28-,29-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Department of Cell and Molecular Biology, The Scripps Research Institute, La Jolla, CA, USA; National Yang-Ming University, Taipei, Taiwan; National Yang-Ming University Hospital, Ilan, Taiwan. Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Bioorg Med Chem Lett 27: 3289-3293 (2017) Article DOI: 10.1016/j.bmcl.2017.06.027 BindingDB Entry DOI: 10.7270/Q2Z32238
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50379129 (CHEMBL2012814) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C33H47N5O5/c1-4-24(39)11-6-5-7-14-27-31(41)37-28(18-22-20-34-26-13-9-8-12-25(22)26)32(42)35-23(17-21(2)3)19-30(40)38-16-10-15-29(38)33(43)36-27/h8-9,12-13,20-21,23,27-29,34H,4-7,10-11,14-19H2,1-3H3,(H,35,42)(H,36,43)(H,37,41)/t23-,27-,28-,29-/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Department of Cell and Molecular Biology, The Scripps Research Institute, La Jolla, CA, USA; National Yang-Ming University, Taipei, Taiwan; National Yang-Ming University Hospital, Ilan, Taiwan. Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Bioorg Med Chem Lett 27: 3289-3293 (2017) Article DOI: 10.1016/j.bmcl.2017.06.027 BindingDB Entry DOI: 10.7270/Q2Z32238
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50379129 (CHEMBL2012814) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C33H47N5O5/c1-4-24(39)11-6-5-7-14-27-31(41)37-28(18-22-20-34-26-13-9-8-12-25(22)26)32(42)35-23(17-21(2)3)19-30(40)38-16-10-15-29(38)33(43)36-27/h8-9,12-13,20-21,23,27-29,34H,4-7,10-11,14-19H2,1-3H3,(H,35,42)(H,36,43)(H,37,41)/t23-,27-,28-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Cell and Molecular Biology, The Scripps Research Institute, La Jolla, CA, USA; National Yang-Ming University, Taipei, Taiwan; National Yang-Ming University Hospital, Ilan, Taiwan. Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 27: 3289-3293 (2017) Article DOI: 10.1016/j.bmcl.2017.06.027 BindingDB Entry DOI: 10.7270/Q2Z32238
					More data for this Ligand-Target Pair