BDBM50123634 CHEMBL3622731

SMILES: C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2

InChI Key: InChIKey=AJEJWONOGKARDP-HQRKCSHCSA-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 = 50123634   

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))	BDBM50123634 (CHEMBL3622731) Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r| Show InChI InChI=1S/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/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 Similars	PubMed	n/a	n/a	4.63E+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))	BDBM50123634 (CHEMBL3622731) Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r| Show InChI InChI=1S/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	751	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))	BDBM50123634 (CHEMBL3622731) Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r| Show InChI InChI=1S/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	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))	BDBM50123634 (CHEMBL3622731) Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r| Show InChI InChI=1S/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	73	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))	BDBM50123634 (CHEMBL3622731) Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r| Show InChI InChI=1S/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/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 Similars	PubMed	n/a	n/a	22	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))	BDBM50123634 (CHEMBL3622731) Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r| Show InChI InChI=1S/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	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))	BDBM50123634 (CHEMBL3622731) Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r| Show InChI InChI=1S/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	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))	BDBM50123634 (CHEMBL3622731) Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r| Show InChI InChI=1S/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	328	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))	BDBM50123634 (CHEMBL3622731) Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r| Show InChI InChI=1S/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	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))	BDBM50123634 (CHEMBL3622731) Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r| Show InChI InChI=1S/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	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))	BDBM50123634 (CHEMBL3622731) Show SMILES C\C=C1/NC(=O)c2csc(CNC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCSC(C)=O)n2 |r| Show InChI InChI=1S/C23H30N4O6S2/c1-5-16-21(30)27-20(13(2)3)23(32)33-15(8-6-7-9-34-14(4)28)10-18(29)24-11-19-25-17(12-35-19)22(31)26-16/h5-6,8,12-13,15,20H,7,9-11H2,1-4H3,(H,24,29)(H,26,31)(H,27,30)/b8-6+,16-5-/t15-,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	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