BDBM50242195 CHEMBL4084541

SMILES: OC(=O)CCn1nc(ccc1=O)-c1cccnc1

InChI Key: InChIKey=FPHNPEYKDLCEEE-UHFFFAOYSA-N

Data: 1 IC50  2 Kd

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 3 hits for monomerid = 50242195   

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))	BDBM50242195 (CHEMBL4084541) Show SMILES OC(=O)CCn1nc(ccc1=O)-c1cccnc1 Show InChI InChI=1S/C12H11N3O3/c16-11-4-3-10(9-2-1-6-13-8-9)14-15(11)7-5-12(17)18/h1-4,6,8H,5,7H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Binding affinity to N-terminal Avi-tagged/C-terminal His6-tagged HDAC6 zinc-finger ubiquitin binding domain (1109 to 1215 residues)(unknown origin) e...				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)
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50242195 (CHEMBL4084541) Show SMILES OC(=O)CCn1nc(ccc1=O)-c1cccnc1 Show InChI InChI=1S/C12H11N3O3/c16-11-4-3-10(9-2-1-6-13-8-9)14-15(11)7-5-12(17)18/h1-4,6,8H,5,7H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease in 10% fetal calf serum(FCS)				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)
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50242195 (CHEMBL4084541) Show SMILES OC(=O)CCn1nc(ccc1=O)-c1cccnc1 Show InChI InChI=1S/C12H11N3O3/c16-11-4-3-10(9-2-1-6-13-8-9)14-15(11)7-5-12(17)18/h1-4,6,8H,5,7H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged HDAC6 zinc-finger ubiquitin binding domain (1109 to 1215 residues)(unknown origin) expressed in Escherichi...				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)