BDBM50079499 CHEMBL3417212

SMILES: COc1cc2CC[C@H](NC(=O)c3cccc(c3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC

InChI Key: InChIKey=ALOLAACYCYRUIP-NDEPHWFRSA-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 = 50079499   

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 1 (Homo sapiens (Human))	BDBM50079499 (CHEMBL3417212) Show SMILES COc1cc2CC[C@H](NC(=O)c3cccc(c3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C38H35N3O7S/c1-45-31-15-12-25-26(20-30(31)42)28(14-11-22-19-32(46-2)35(47-3)36(48-4)34(22)25)40-37(43)23-7-5-8-24(17-23)38(44)41-29-18-21(10-13-27(29)39)33-9-6-16-49-33/h5-10,12-13,15-20,28H,11,14,39H2,1-4H3,(H,40,43)(H,41,44)/t28-/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 Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50079499 (CHEMBL3417212) Show SMILES COc1cc2CC[C@H](NC(=O)c3cccc(c3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C38H35N3O7S/c1-45-31-15-12-25-26(20-30(31)42)28(14-11-22-19-32(46-2)35(47-3)36(48-4)34(22)25)40-37(43)23-7-5-8-24(17-23)38(44)41-29-18-21(10-13-27(29)39)33-9-6-16-49-33/h5-10,12-13,15-20,28H,11,14,39H2,1-4H3,(H,40,43)(H,41,44)/t28-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50079499 (CHEMBL3417212) Show SMILES COc1cc2CC[C@H](NC(=O)c3cccc(c3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C38H35N3O7S/c1-45-31-15-12-25-26(20-30(31)42)28(14-11-22-19-32(46-2)35(47-3)36(48-4)34(22)25)40-37(43)23-7-5-8-24(17-23)38(44)41-29-18-21(10-13-27(29)39)33-9-6-16-49-33/h5-10,12-13,15-20,28H,11,14,39H2,1-4H3,(H,40,43)(H,41,44)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair