BDBM50242196 CHEMBL4069423

SMILES: OC(=O)CCc1nc2cc(Cl)ccc2s1

InChI Key: InChIKey=UMBLVHSXXWQLDL-UHFFFAOYSA-N

Data: 2 IC50  2 Kd

PDB links: 2 PDB IDs match 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 4 hits for monomerid = 50242196   

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))	BDBM50242196 (CHEMBL4069423) Show SMILES OC(=O)CCc1nc2cc(Cl)ccc2s1 Show InChI InChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)12-9(15-8)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14)	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	4.00E+4	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of HIV-1 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)
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50242196 (CHEMBL4069423) Show SMILES OC(=O)CCc1nc2cc(Cl)ccc2s1 Show InChI InChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)12-9(15-8)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14)	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	5.50E+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))	BDBM50242196 (CHEMBL4069423) Show SMILES OC(=O)CCc1nc2cc(Cl)ccc2s1 Show InChI InChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)12-9(15-8)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14)	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	5.50E+4	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 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)
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50242196 (CHEMBL4069423) Show SMILES OC(=O)CCc1nc2cc(Cl)ccc2s1 Show InChI InChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)12-9(15-8)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14)	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	6.00E+4	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)