BDBM50141111 CHEMBL3758901

SMILES: ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1

InChI Key: InChIKey=TWTUJMUGLFWIIG-VQHVLOKHSA-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 = 50141111   

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 2 (Homo sapiens (Human))	BDBM50141111 (CHEMBL3758901) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin)				Eur J Med Chem 108: 53-67 (2016) BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50141111 (CHEMBL3758901) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Eur J Med Chem 108: 53-67 (2016) BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50141111 (CHEMBL3758901) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50141111 (CHEMBL3758901) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50141111 (CHEMBL3758901) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50141111 (CHEMBL3758901) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Eur J Med Chem 108: 53-67 (2016) BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair