BDBM50361444 CHEMBL1938433

SMILES: ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1

InChI Key: InChIKey=PTSASYUIHCGRFT-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50361444   

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
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361444 (CHEMBL1938433) Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1 |w:5.5| Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)	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	93.8	n/a	n/a	n/a	n/a	n/a	n/a
DAC SRL Curated by ChEMBL					Assay Description Inhibition of HDAC1 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay				J Med Chem 54: 3051-64 (2011) Article DOI: 10.1021/jm200146u BindingDB Entry DOI: 10.7270/Q21V5FD6
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50361444 (CHEMBL1938433) Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1 |w:5.5| Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)	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	9.40	n/a	n/a	n/a	n/a	n/a	n/a
DAC SRL Curated by ChEMBL					Assay Description Inhibition of HDAC3 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay				J Med Chem 54: 3051-64 (2011) Article DOI: 10.1021/jm200146u BindingDB Entry DOI: 10.7270/Q21V5FD6
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50361444 (CHEMBL1938433) Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1 |w:5.5| Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)	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	65	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Eur J Med Chem 64: 273-84 (2013) Article DOI: 10.1016/j.ejmech.2013.03.061 BindingDB Entry DOI: 10.7270/Q2TT4SBV
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50361444 (CHEMBL1938433) Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1 |w:5.5| Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)	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	25.7	n/a	n/a	n/a	n/a	n/a	n/a
DAC SRL Curated by ChEMBL					Assay Description Inhibition of HDAC6 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay				J Med Chem 54: 3051-64 (2011) Article DOI: 10.1021/jm200146u BindingDB Entry DOI: 10.7270/Q21V5FD6
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50361444 (CHEMBL1938433) Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1 |w:5.5| Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)	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	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
DAC SRL Curated by ChEMBL					Assay Description Inhibition of HDAC8 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay				J Med Chem 54: 3051-64 (2011) Article DOI: 10.1021/jm200146u BindingDB Entry DOI: 10.7270/Q21V5FD6
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50361444 (CHEMBL1938433) Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1 |w:5.5| Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
DAC SRL Curated by ChEMBL					Assay Description Inhibition of HDAC4 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay				J Med Chem 54: 3051-64 (2011) Article DOI: 10.1021/jm200146u BindingDB Entry DOI: 10.7270/Q21V5FD6
					More data for this Ligand-Target Pair