BDBM50242202 CHEMBL4068652

SMILES: Cn1c2ccccc2nc(CCC(O)=O)c1=O

InChI Key: InChIKey=JIXBAXULUJSRDR-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50242202   

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))	BDBM50242202 (CHEMBL4068652) Show SMILES Cn1c2ccccc2nc(CCC(O)=O)c1=O Show InChI InChI=1S/C12H12N2O3/c1-14-10-5-3-2-4-8(10)13-9(12(14)17)6-7-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia c...				J Med Chem 61: 4517-4527 (2018) Article DOI: 10.1021/acs.jmedchem.8b00258 BindingDB Entry DOI: 10.7270/Q2T72M2K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50242202 (CHEMBL4068652) Show SMILES Cn1c2ccccc2nc(CCC(O)=O)c1=O Show InChI InChI=1S/C12H12N2O3/c1-14-10-5-3-2-4-8(10)13-9(12(14)17)6-7-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of HIV-2 protease in 5%DMSO				J Med Chem 60: 9090-9096 (2017) Article DOI: 10.1021/acs.jmedchem.7b00933 BindingDB Entry DOI: 10.7270/Q2M32Z5T
					More data for this Ligand-Target Pair				3D Structure (crystal)