BDBM50079493 CHEMBL3417213

SMILES: COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC

InChI Key: InChIKey=HOJQCQBLATVWAW-SANMLTNESA-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 = 50079493   

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))	BDBM50079493 (CHEMBL3417213) Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C34H35N3O6/c1-40-29-16-14-23-24(18-28(29)38)26(15-13-22-17-30(41-2)32(42-3)33(43-4)31(22)23)36-19-20-9-11-21(12-10-20)34(39)37-27-8-6-5-7-25(27)35/h5-12,14,16-18,26,36H,13,15,19,35H2,1-4H3,(H,37,39)/t26-/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	1.12E+4	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))	BDBM50079493 (CHEMBL3417213) Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C34H35N3O6/c1-40-29-16-14-23-24(18-28(29)38)26(15-13-22-17-30(41-2)32(42-3)33(43-4)31(22)23)36-19-20-9-11-21(12-10-20)34(39)37-27-8-6-5-7-25(27)35/h5-12,14,16-18,26,36H,13,15,19,35H2,1-4H3,(H,37,39)/t26-/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	1.25E+4	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))	BDBM50079493 (CHEMBL3417213) Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C34H35N3O6/c1-40-29-16-14-23-24(18-28(29)38)26(15-13-22-17-30(41-2)32(42-3)33(43-4)31(22)23)36-19-20-9-11-21(12-10-20)34(39)37-27-8-6-5-7-25(27)35/h5-12,14,16-18,26,36H,13,15,19,35H2,1-4H3,(H,37,39)/t26-/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	6.73E+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 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