BindingDB PrimarySearch

BDBM50360449 CHEMBL1215739::MG-149

SMILES: CCCCCCCc1ccc(CCc2cccc(O)c2C(O)=O)cc1

InChI Key: InChIKey=WBHQYBZRTAEHRR-UHFFFAOYSA-N

Data: 5 IC50 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50360449
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Histone acetyltransferase KAT5 (Homo sapiens (Human))	BDBM50360449 (CHEMBL1215739 \| MG-149) Show SMILES CCCCCCCc1ccc(CCc2cccc(O)c2C(O)=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged Tip60 expressed in Escherichia coli BL21(DE3) cells using [14C]Ac-AoA and histone H4 as substrate after 5 ...				Eur J Med Chem 47: 337-44 (2012) Article DOI: 10.1016/j.ejmech.2011.11.001 BindingDB Entry DOI: 10.7270/Q2XD123P
University of Groningen Curated by ChEMBL					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50360449 (CHEMBL1215739 \| MG-149) Show SMILES CCCCCCCc1ccc(CCc2cccc(O)c2C(O)=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human MOF expressed in Escherichia coli BL21(DE3) cells using [14C]AC-CoA and histone H4 as substrate after 5 mins by scintillation cou...				Eur J Med Chem 47: 337-44 (2012) Article DOI: 10.1016/j.ejmech.2011.11.001 BindingDB Entry DOI: 10.7270/Q2XD123P
University of Groningen Curated by ChEMBL					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50360449 (CHEMBL1215739 \| MG-149) Show SMILES CCCCCCCc1ccc(CCc2cccc(O)c2C(O)=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human His-tagged MOF using histone H4 substrate by radioactive acetylation assay				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50360449 (CHEMBL1215739 \| MG-149) Show SMILES CCCCCCCc1ccc(CCc2cccc(O)c2C(O)=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		n/a	n/a	2.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50360449 (CHEMBL1215739 \| MG-149) Show SMILES CCCCCCCc1ccc(CCc2cccc(O)c2C(O)=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description The 3CLpro enzyme assay was developed in 384-well black, medium binding microplates (Greiner Bio-One, Monroe, NC, USA) with a total volume of 20 _...				bioRxiv (2020) Article DOI: 10.1101/2020.07.17.207019 BindingDB Entry DOI: 10.7270/Q20G3NJM
National Institutes of Health					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50360449 (CHEMBL1215739 \| MG-149) Show SMILES CCCCCCCc1ccc(CCc2cccc(O)c2C(O)=O)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description SARS-CoV-2 CPE assay was conducted at Southern Research Institute (Birmingham, AL) as described in previous reports30, 31. In brief, high ACE2 expres...				bioRxiv (2020) Article DOI: 10.1101/2020.07.17.207019 BindingDB Entry DOI: 10.7270/Q20G3NJM
National Institutes of Health					More data for this Ligand-Target Pair
Histone acetyltransferase KAT8 (Homo sapiens (Human))	BDBM50360449 (CHEMBL1215739 \| MG-149) Show SMILES CCCCCCCc1ccc(CCc2cccc(O)c2C(O)=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human His-tagged MOF preincubated for 10 mins followed by biotin-labeled H4K16 substrate addition measured after 30 mins in presence of...				Eur J Med Chem 157: 867-876 (2018) Article DOI: 10.1016/j.ejmech.2018.08.026 BindingDB Entry DOI: 10.7270/Q2CC13DT
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair