BDBM50254779 CHEMBL4061025

SMILES: C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CS)C(C)C

InChI Key: InChIKey=KEFLLVVROWXXSJ-BOPWYABFSA-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 = 50254779   

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 4 (Homo sapiens (Human))	BDBM50254779 (CHEMBL4061025) Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CS)C(C)C |r| Show InChI InChI=1S/C23H36N4O6S2/c1-6-15-20(29)27-19(13(4)5)23(32)33-14(8-7-9-34)10-17(28)26-18(12(2)3)22(31)25-16(11-35)21(30)24-15/h6-8,12-14,16,18-19,34-35H,9-11H2,1-5H3,(H,24,30)(H,25,31)(H,26,28)(H,27,29)/b8-7+,15-6-/t14-,16+,18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Moléculaire de Reims, UMR 7312-CNRS, UFR Pharmacie , Université de Reims Champagne-Ardenne , 51 rue Cognacq-Jay , 51096 Reims Cedex , France. Curated by ChEMBL					Assay Description Inhibition of human HDAC4 expressed in human 293T cells preincubated for 15 mins in presence of [3H]acetyl-labeled histones measured after 30 mins by...				J Med Chem 61: 1745-1766 (2018) Article DOI: 10.1021/acs.jmedchem.7b00115 BindingDB Entry DOI: 10.7270/Q2FT8PGH
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50254779 (CHEMBL4061025) Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CS)C(C)C |r| Show InChI InChI=1S/C23H36N4O6S2/c1-6-15-20(29)27-19(13(4)5)23(32)33-14(8-7-9-34)10-17(28)26-18(12(2)3)22(31)25-16(11-35)21(30)24-15/h6-8,12-14,16,18-19,34-35H,9-11H2,1-5H3,(H,24,30)(H,25,31)(H,26,28)(H,27,29)/b8-7+,15-6-/t14-,16+,18-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Moléculaire de Reims, UMR 7312-CNRS, UFR Pharmacie , Université de Reims Champagne-Ardenne , 51 rue Cognacq-Jay , 51096 Reims Cedex , France. Curated by ChEMBL					Assay Description Inhibition of human HDAC6 expressed in human 293T cells preincubated for 15 mins in presence of [3H]acetyl-labeled histones measured after 30 mins by...				J Med Chem 61: 1745-1766 (2018) Article DOI: 10.1021/acs.jmedchem.7b00115 BindingDB Entry DOI: 10.7270/Q2FT8PGH
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50254779 (CHEMBL4061025) Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CS)C(C)C |r| Show InChI InChI=1S/C23H36N4O6S2/c1-6-15-20(29)27-19(13(4)5)23(32)33-14(8-7-9-34)10-17(28)26-18(12(2)3)22(31)25-16(11-35)21(30)24-15/h6-8,12-14,16,18-19,34-35H,9-11H2,1-5H3,(H,24,30)(H,25,31)(H,26,28)(H,27,29)/b8-7+,15-6-/t14-,16+,18-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Moléculaire de Reims, UMR 7312-CNRS, UFR Pharmacie , Université de Reims Champagne-Ardenne , 51 rue Cognacq-Jay , 51096 Reims Cedex , France. Curated by ChEMBL					Assay Description Inhibition of human HDAC1 expressed in human 293T cells preincubated for 15 mins in presence of [3H]acetyl-labeled histones measured after 30 mins by...				J Med Chem 61: 1745-1766 (2018) Article DOI: 10.1021/acs.jmedchem.7b00115 BindingDB Entry DOI: 10.7270/Q2FT8PGH
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50254779 (CHEMBL4061025) Show SMILES C\C=C1/NC(=O)[C@H](CS)NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CS)C(C)C |r| Show InChI InChI=1S/C23H36N4O6S2/c1-6-15-20(29)27-19(13(4)5)23(32)33-14(8-7-9-34)10-17(28)26-18(12(2)3)22(31)25-16(11-35)21(30)24-15/h6-8,12-14,16,18-19,34-35H,9-11H2,1-5H3,(H,24,30)(H,25,31)(H,26,28)(H,27,29)/b8-7+,15-6-/t14-,16+,18-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Moléculaire de Reims, UMR 7312-CNRS, UFR Pharmacie , Université de Reims Champagne-Ardenne , 51 rue Cognacq-Jay , 51096 Reims Cedex , France. Curated by ChEMBL					Assay Description Inhibition of human HDAC2 expressed in human 293T cells preincubated for 15 mins in presence of [3H]acetyl-labeled histones measured after 30 mins by...				J Med Chem 61: 1745-1766 (2018) Article DOI: 10.1021/acs.jmedchem.7b00115 BindingDB Entry DOI: 10.7270/Q2FT8PGH
					More data for this Ligand-Target Pair