BDBM50004760 CHEMBL3233703

SMILES: ONC(=O)\C=C\c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)cc1

InChI Key: InChIKey=HGSGBMMKQRFPCG-MNTLFOFUSA-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 = 50004760   

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))	BDBM50004760 (CHEMBL3233703) Show SMILES ONC(=O)\C=C\c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C27H24FN3O4/c28-21-10-8-19(9-11-21)27(33)30-22(15-20-16-29-25-4-2-1-3-24(20)25)17-35-23-12-5-18(6-13-23)7-14-26(32)31-34/h1-14,16,22,29,34H,15,17H2,(H,30,33)(H,31,32)/b14-7+/t22-/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	17	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay				J Med Chem 57: 3324-41 (2014) Article DOI: 10.1021/jm401877m BindingDB Entry DOI: 10.7270/Q2D79CZ8
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50004760 (CHEMBL3233703) Show SMILES ONC(=O)\C=C\c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C27H24FN3O4/c28-21-10-8-19(9-11-21)27(33)30-22(15-20-16-29-25-4-2-1-3-24(20)25)17-35-23-12-5-18(6-13-23)7-14-26(32)31-34/h1-14,16,22,29,34H,15,17H2,(H,30,33)(H,31,32)/b14-7+/t22-/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	102	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay				J Med Chem 57: 3324-41 (2014) Article DOI: 10.1021/jm401877m BindingDB Entry DOI: 10.7270/Q2D79CZ8
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50004760 (CHEMBL3233703) Show SMILES ONC(=O)\C=C\c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C27H24FN3O4/c28-21-10-8-19(9-11-21)27(33)30-22(15-20-16-29-25-4-2-1-3-24(20)25)17-35-23-12-5-18(6-13-23)7-14-26(32)31-34/h1-14,16,22,29,34H,15,17H2,(H,30,33)(H,31,32)/b14-7+/t22-/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	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay				J Med Chem 57: 3324-41 (2014) Article DOI: 10.1021/jm401877m BindingDB Entry DOI: 10.7270/Q2D79CZ8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50004760 (CHEMBL3233703) Show SMILES ONC(=O)\C=C\c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)cc1 |r| Show InChI InChI=1S/C27H24FN3O4/c28-21-10-8-19(9-11-21)27(33)30-22(15-20-16-29-25-4-2-1-3-24(20)25)17-35-23-12-5-18(6-13-23)7-14-26(32)31-34/h1-14,16,22,29,34H,15,17H2,(H,30,33)(H,31,32)/b14-7+/t22-/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	457	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate after 30 mins by fluorescence assay				J Med Chem 57: 3324-41 (2014) Article DOI: 10.1021/jm401877m BindingDB Entry DOI: 10.7270/Q2D79CZ8
					More data for this Ligand-Target Pair