BDBM50507688 CHEMBL4550214

SMILES: ONC(=O)c1ccc(Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)cc1

InChI Key: InChIKey=JBJIKUXUKSADFV-UHFFFAOYSA-N

Data: 2 KI  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 8 hits for monomerid = 50507688   

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 6 (Homo sapiens (Human))	BDBM50507688 (CHEMBL4550214) Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)cc1 Show InChI InChI=1S/C24H21N3O4/c28-22(25-31)19-12-10-18(11-13-19)16-27-21-9-5-4-8-20(21)23(29)26(24(27)30)15-14-17-6-2-1-3-7-17/h1-13,31H,14-16H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AnnJi Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of human full-length recombinant HDAC6 expressed in baculovirus infected Sf9 insect cells using Boc-Lys (Ac)-AMC as substrate ...				J Med Chem 62: 857-874 (2019) Article DOI: 10.1021/acs.jmedchem.8b01590
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50507688 (CHEMBL4550214) Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)cc1 Show InChI InChI=1S/C24H21N3O4/c28-22(25-31)19-12-10-18(11-13-19)16-27-21-9-5-4-8-20(21)23(29)26(24(27)30)15-14-17-6-2-1-3-7-17/h1-13,31H,14-16H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AnnJi Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Competitive inhibition of human HDAC6 CD2 expressed in Escherichia coli BL21 (RIL) using Boc-Lys (Ac)-AMC as substrate preincubated for 10 mins follo...				J Med Chem 62: 857-874 (2019) Article DOI: 10.1021/acs.jmedchem.8b01590
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50507688 (CHEMBL4550214) Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)cc1 Show InChI InChI=1S/C24H21N3O4/c28-22(25-31)19-12-10-18(11-13-19)16-27-21-9-5-4-8-20(21)23(29)26(24(27)30)15-14-17-6-2-1-3-7-17/h1-13,31H,14-16H2,(H,25,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
AnnJi Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant HDAC11 expressed in baculovirus infected Sf9 insect cells using fluorogenic peptide RHKKAc as substrate a...				J Med Chem 62: 857-874 (2019) Article DOI: 10.1021/acs.jmedchem.8b01590
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50507688 (CHEMBL4550214) Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)cc1 Show InChI InChI=1S/C24H21N3O4/c28-22(25-31)19-12-10-18(11-13-19)16-27-21-9-5-4-8-20(21)23(29)26(24(27)30)15-14-17-6-2-1-3-7-17/h1-13,31H,14-16H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Cedilla Therapeutics Curated by ChEMBL					Assay Description Inhibition of MELK (unknown origin)				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM50507688 (CHEMBL4550214) Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)cc1 Show InChI InChI=1S/C24H21N3O4/c28-22(25-31)19-12-10-18(11-13-19)16-27-21-9-5-4-8-20(21)23(29)26(24(27)30)15-14-17-6-2-1-3-7-17/h1-13,31H,14-16H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
AnnJi Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant HDAC1 expressed in baculovirus infected Sf9 insect cells using fluorogenic peptide RHKKAc as substrate af...				J Med Chem 62: 857-874 (2019) Article DOI: 10.1021/acs.jmedchem.8b01590
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50507688 (CHEMBL4550214) Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)cc1 Show InChI InChI=1S/C24H21N3O4/c28-22(25-31)19-12-10-18(11-13-19)16-27-21-9-5-4-8-20(21)23(29)26(24(27)30)15-14-17-6-2-1-3-7-17/h1-13,31H,14-16H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	309	n/a	n/a	n/a	n/a	n/a	n/a
AnnJi Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant HDAC8 expressed in baculovirus infected Sf9 insect cells using fluorogenic peptide RHKAcKAc as substrate ...				J Med Chem 62: 857-874 (2019) Article DOI: 10.1021/acs.jmedchem.8b01590
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50507688 (CHEMBL4550214) Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)cc1 Show InChI InChI=1S/C24H21N3O4/c28-22(25-31)19-12-10-18(11-13-19)16-27-21-9-5-4-8-20(21)23(29)26(24(27)30)15-14-17-6-2-1-3-7-17/h1-13,31H,14-16H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Cedilla Therapeutics Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50507688 (CHEMBL4550214) Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)cc1 Show InChI InChI=1S/C24H21N3O4/c28-22(25-31)19-12-10-18(11-13-19)16-27-21-9-5-4-8-20(21)23(29)26(24(27)30)15-14-17-6-2-1-3-7-17/h1-13,31H,14-16H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AnnJi Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human full-length recombinant HDAC6 expressed in baculovirus infected Sf9 insect cells using fluorogenic peptide RHKKAc as substrate af...				J Med Chem 62: 857-874 (2019) Article DOI: 10.1021/acs.jmedchem.8b01590
					More data for this Ligand-Target Pair