BDBM50379132 CHEMBL2012813

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

InChI Key: InChIKey=AAMHUKDMAMABLC-UAGACBDMSA-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 = 50379132   

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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50379132 (CHEMBL2012813) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C32H47N5O5/c1-6-24(38)12-8-7-9-15-27-31(41)36-28(17-22-19-33-26-14-11-10-13-25(22)26)32(42)34-23(16-20(2)3)18-29(39)37(5)21(4)30(40)35-27/h10-11,13-14,19-21,23,27-28,33H,6-9,12,15-18H2,1-5H3,(H,34,42)(H,35,40)(H,36,41)/t21-,23-,27-,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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay				ACS Med Chem Lett 3: 749-753 (2012) Article DOI: 10.1021/ml300162r BindingDB Entry DOI: 10.7270/Q29P32R4
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50379132 (CHEMBL2012813) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C32H47N5O5/c1-6-24(38)12-8-7-9-15-27-31(41)36-28(17-22-19-33-26-14-11-10-13-25(22)26)32(42)34-23(16-20(2)3)18-29(39)37(5)21(4)30(40)35-27/h10-11,13-14,19-21,23,27-28,33H,6-9,12,15-18H2,1-5H3,(H,34,42)(H,35,40)(H,36,41)/t21-,23-,27-,28-/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	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 using Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 30 mins by trypsin-coupled fluorogenic assay				ACS Med Chem Lett 3: 749-753 (2012) Article DOI: 10.1021/ml300162r BindingDB Entry DOI: 10.7270/Q29P32R4
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50379132 (CHEMBL2012813) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C32H47N5O5/c1-6-24(38)12-8-7-9-15-27-31(41)36-28(17-22-19-33-26-14-11-10-13-25(22)26)32(42)34-23(16-20(2)3)18-29(39)37(5)21(4)30(40)35-27/h10-11,13-14,19-21,23,27-28,33H,6-9,12,15-18H2,1-5H3,(H,34,42)(H,35,40)(H,36,41)/t21-,23-,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3/NCoR2 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay				ACS Med Chem Lett 3: 749-753 (2012) Article DOI: 10.1021/ml300162r BindingDB Entry DOI: 10.7270/Q29P32R4
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50379132 (CHEMBL2012813) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C32H47N5O5/c1-6-24(38)12-8-7-9-15-27-31(41)36-28(17-22-19-33-26-14-11-10-13-25(22)26)32(42)34-23(16-20(2)3)18-29(39)37(5)21(4)30(40)35-27/h10-11,13-14,19-21,23,27-28,33H,6-9,12,15-18H2,1-5H3,(H,34,42)(H,35,40)(H,36,41)/t21-,23-,27-,28-/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	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay				ACS Med Chem Lett 3: 749-753 (2012) Article DOI: 10.1021/ml300162r BindingDB Entry DOI: 10.7270/Q29P32R4
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50379132 (CHEMBL2012813) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C32H47N5O5/c1-6-24(38)12-8-7-9-15-27-31(41)36-28(17-22-19-33-26-14-11-10-13-25(22)26)32(42)34-23(16-20(2)3)18-29(39)37(5)21(4)30(40)35-27/h10-11,13-14,19-21,23,27-28,33H,6-9,12,15-18H2,1-5H3,(H,34,42)(H,35,40)(H,36,41)/t21-,23-,27-,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	>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
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50379132 (CHEMBL2012813) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C32H47N5O5/c1-6-24(38)12-8-7-9-15-27-31(41)36-28(17-22-19-33-26-14-11-10-13-25(22)26)32(42)34-23(16-20(2)3)18-29(39)37(5)21(4)30(40)35-27/h10-11,13-14,19-21,23,27-28,33H,6-9,12,15-18H2,1-5H3,(H,34,42)(H,35,40)(H,36,41)/t21-,23-,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	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))	BDBM50379132 (CHEMBL2012813) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C32H47N5O5/c1-6-24(38)12-8-7-9-15-27-31(41)36-28(17-22-19-33-26-14-11-10-13-25(22)26)32(42)34-23(16-20(2)3)18-29(39)37(5)21(4)30(40)35-27/h10-11,13-14,19-21,23,27-28,33H,6-9,12,15-18H2,1-5H3,(H,34,42)(H,35,40)(H,36,41)/t21-,23-,27-,28-/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	2.00E+3	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))	BDBM50379132 (CHEMBL2012813) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C32H47N5O5/c1-6-24(38)12-8-7-9-15-27-31(41)36-28(17-22-19-33-26-14-11-10-13-25(22)26)32(42)34-23(16-20(2)3)18-29(39)37(5)21(4)30(40)35-27/h10-11,13-14,19-21,23,27-28,33H,6-9,12,15-18H2,1-5H3,(H,34,42)(H,35,40)(H,36,41)/t21-,23-,27-,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	50	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50379132 (CHEMBL2012813) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C32H47N5O5/c1-6-24(38)12-8-7-9-15-27-31(41)36-28(17-22-19-33-26-14-11-10-13-25(22)26)32(42)34-23(16-20(2)3)18-29(39)37(5)21(4)30(40)35-27/h10-11,13-14,19-21,23,27-28,33H,6-9,12,15-18H2,1-5H3,(H,34,42)(H,35,40)(H,36,41)/t21-,23-,27-,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	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Ac-Lys(Ac)-7-amino-4-methylcoumarin as substrate after 30 mins by trypsin-coupled fluorogenic assay				ACS Med Chem Lett 3: 749-753 (2012) Article DOI: 10.1021/ml300162r BindingDB Entry DOI: 10.7270/Q29P32R4
					More data for this Ligand-Target Pair