BDBM50382633 CHEMBL2023528

SMILES: COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NCc6ccc(cc6)-c6cn(CCCCCC(=O)NO)nn6)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O

InChI Key: InChIKey=HVOKYJBVRMOEJD-SHNXHHRMSA-N

Data: 3 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 3 hits for monomerid = 50382633   

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 8 (Homo sapiens (Human))	BDBM50382633 (CHEMBL2023528) Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NCc6ccc(cc6)-c6cn(CCCCCC(=O)NO)nn6)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O |r| Show InChI InChI=1S/C42H47N5O12/c1-21-37(50)27(43-19-23-11-13-24(14-12-23)28-20-47(46-44-28)15-6-4-5-10-31(49)45-56)16-32(58-21)59-30-18-42(55,22(2)48)17-26-34(30)41(54)36-35(39(26)52)38(51)25-8-7-9-29(57-3)33(25)40(36)53/h7-9,11-14,20-21,27,30,32,37,43,50,52,54-56H,4-6,10,15-19H2,1-3H3,(H,45,49)/t21-,27-,30-,32-,37+,42-/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	4.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 in human HeLa cell nuclear extract using Fluor de Lys as substrate after 15 mins by fluorometric analysis				J Med Chem 55: 1465-77 (2012) Article DOI: 10.1021/jm200799p BindingDB Entry DOI: 10.7270/Q24F1RRP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50382633 (CHEMBL2023528) Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NCc6ccc(cc6)-c6cn(CCCCCC(=O)NO)nn6)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O |r| Show InChI InChI=1S/C42H47N5O12/c1-21-37(50)27(43-19-23-11-13-24(14-12-23)28-20-47(46-44-28)15-6-4-5-10-31(49)45-56)16-32(58-21)59-30-18-42(55,22(2)48)17-26-34(30)41(54)36-35(39(26)52)38(51)25-8-7-9-29(57-3)33(25)40(36)53/h7-9,11-14,20-21,27,30,32,37,43,50,52,54-56H,4-6,10,15-19H2,1-3H3,(H,45,49)/t21-,27-,30-,32-,37+,42-/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	54	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human HeLa cell nuclear extract using Fluor de Lys as substrate after 15 mins by fluorometric analysis				J Med Chem 55: 1465-77 (2012) Article DOI: 10.1021/jm200799p BindingDB Entry DOI: 10.7270/Q24F1RRP
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50382633 (CHEMBL2023528) Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NCc6ccc(cc6)-c6cn(CCCCCC(=O)NO)nn6)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O |r| Show InChI InChI=1S/C42H47N5O12/c1-21-37(50)27(43-19-23-11-13-24(14-12-23)28-20-47(46-44-28)15-6-4-5-10-31(49)45-56)16-32(58-21)59-30-18-42(55,22(2)48)17-26-34(30)41(54)36-35(39(26)52)38(51)25-8-7-9-29(57-3)33(25)40(36)53/h7-9,11-14,20-21,27,30,32,37,43,50,52,54-56H,4-6,10,15-19H2,1-3H3,(H,45,49)/t21-,27-,30-,32-,37+,42-/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
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human HeLa cell nuclear extract using Fluor de Lys as substrate after 15 mins by fluorometric analysis				J Med Chem 55: 1465-77 (2012) Article DOI: 10.1021/jm200799p BindingDB Entry DOI: 10.7270/Q24F1RRP
					More data for this Ligand-Target Pair