BDBM50079475 CHEMBL3417214

SMILES: COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC

InChI Key: InChIKey=OHIVLDZJOUAGMQ-LJAQVGFWSA-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 = 50079475   

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 3 (Homo sapiens (Human))	BDBM50079475 (CHEMBL3417214) Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C38H37N3O6S/c1-44-32-16-13-26-27(20-31(32)42)29(15-12-25-19-33(45-2)36(46-3)37(47-4)35(25)26)40-21-22-7-9-23(10-8-22)38(43)41-30-18-24(11-14-28(30)39)34-6-5-17-48-34/h5-11,13-14,16-20,29,40H,12,15,21,39H2,1-4H3,(H,41,43)/t29-/m0/s1	PDB 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	1.47E+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 1 (Homo sapiens (Human))	BDBM50079475 (CHEMBL3417214) Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C38H37N3O6S/c1-44-32-16-13-26-27(20-31(32)42)29(15-12-25-19-33(45-2)36(46-3)37(47-4)35(25)26)40-21-22-7-9-23(10-8-22)38(43)41-30-18-24(11-14-28(30)39)34-6-5-17-48-34/h5-11,13-14,16-20,29,40H,12,15,21,39H2,1-4H3,(H,41,43)/t29-/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	3.32E+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 2 (Homo sapiens (Human))	BDBM50079475 (CHEMBL3417214) Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C38H37N3O6S/c1-44-32-16-13-26-27(20-31(32)42)29(15-12-25-19-33(45-2)36(46-3)37(47-4)35(25)26)40-21-22-7-9-23(10-8-22)38(43)41-30-18-24(11-14-28(30)39)34-6-5-17-48-34/h5-11,13-14,16-20,29,40H,12,15,21,39H2,1-4H3,(H,41,43)/t29-/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	270	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