BDBM50123628 CHEMBL3622730

SMILES: CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1

InChI Key: InChIKey=WCZYLKXWWUKEBA-QUDUTUPQSA-N

Data: 11 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 11 hits for monomerid = 50123628   

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))	BDBM50123628 (CHEMBL3622730) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	6.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institute of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 after 60 mins by fluorescence assay				J Med Chem 58: 7672-80 (2015) BindingDB Entry DOI: 10.7270/Q2DF6T01
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM50123628 (CHEMBL3622730) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institute of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC10 after 60 mins by fluorescence assay				J Med Chem 58: 7672-80 (2015) BindingDB Entry DOI: 10.7270/Q2DF6T01
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50123628 (CHEMBL3622730) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institute of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC11 after 60 mins by fluorescence assay				J Med Chem 58: 7672-80 (2015) BindingDB Entry DOI: 10.7270/Q2DF6T01
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50123628 (CHEMBL3622730) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institute of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 after 60 mins by fluorescence assay				J Med Chem 58: 7672-80 (2015) BindingDB Entry DOI: 10.7270/Q2DF6T01
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50123628 (CHEMBL3622730) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institute of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 after 60 mins by fluorescence assay				J Med Chem 58: 7672-80 (2015) BindingDB Entry DOI: 10.7270/Q2DF6T01
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50123628 (CHEMBL3622730) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institute of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC5 after 60 mins by fluorescence assay				J Med Chem 58: 7672-80 (2015) BindingDB Entry DOI: 10.7270/Q2DF6T01
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50123628 (CHEMBL3622730) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institute of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC9 after 60 mins by fluorescence assay				J Med Chem 58: 7672-80 (2015) BindingDB Entry DOI: 10.7270/Q2DF6T01
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50123628 (CHEMBL3622730) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institute of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC2 after 60 mins by fluorescence assay				J Med Chem 58: 7672-80 (2015) BindingDB Entry DOI: 10.7270/Q2DF6T01
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50123628 (CHEMBL3622730) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institute of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 after 60 mins by fluorescence assay				J Med Chem 58: 7672-80 (2015) BindingDB Entry DOI: 10.7270/Q2DF6T01
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50123628 (CHEMBL3622730) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institute of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC4 after 60 mins by fluorescence assay				J Med Chem 58: 7672-80 (2015) BindingDB Entry DOI: 10.7270/Q2DF6T01
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50123628 (CHEMBL3622730) Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O1 |r| Show InChI InChI=1S/C29H42N4O6S2/c1-5-7-8-9-10-14-25(35)40-15-12-11-13-20-16-23(34)30-17-24-31-22(18-41-24)28(37)32-21(6-2)27(36)33-26(19(3)4)29(38)39-20/h6,11,13,18-20,26H,5,7-10,12,14-17H2,1-4H3,(H,30,34)(H,32,37)(H,33,36)/b13-11+,21-6-/t20-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institute of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC7 after 60 mins by fluorescence assay				J Med Chem 58: 7672-80 (2015) BindingDB Entry DOI: 10.7270/Q2DF6T01
					More data for this Ligand-Target Pair