SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 343.3
BDBM50076255

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 8 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Inosine-5'-monophosphate dehydrogenase (Cryptococcus neoformans var. neoformans serotype D...)	BDBM50076255 (CHEMBL3416316) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50076255 (CHEMBL3416316) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH2 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair
Histone acetyltransferase GCN5 (Saccharomyces cerevisiae S288c)	BDBM50076255 (CHEMBL3416316) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic College of Medicine Curated by ChEMBL					Assay Description Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using [3H]-acetyl-CoA assessed as acetate incorp...				J Med Chem 58: 2091-113 (2015) Article DOI: 10.1021/jm5019093 BindingDB Entry DOI: 10.7270/Q26M38J9
Mayo Clinic College of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Histone acetyltransferase GCN5 (Saccharomyces cerevisiae S288c)	BDBM50076255 (CHEMBL3416316) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic College of Medicine Curated by ChEMBL					Assay Description Inhibition of yeast histone acetyltransferase Gcn5-Ada2-Ada3 complex using tetramer and [3H]-acetyl-CoA assessed as acetate incorporation after 30 mi...				J Med Chem 58: 2091-113 (2015) Article DOI: 10.1021/jm5019093 BindingDB Entry DOI: 10.7270/Q26M38J9
Mayo Clinic College of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Histone acetyltransferase p300 (Homo sapiens (Human))	BDBM50076255 (CHEMBL3416316) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant histone acetyltransferase p300 (unknown origin) using dH3-H4 tetramer and [3H]-acetyl-CoA assessed as acetate incorporation...				J Med Chem 58: 2091-113 (2015) Article DOI: 10.1021/jm5019093 BindingDB Entry DOI: 10.7270/Q26M38J9
Mayo Clinic College of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Histone acetyltransferase GCN5 (Saccharomyces cerevisiae S288c)	BDBM50076255 (CHEMBL3416316) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic College of Medicine Curated by ChEMBL					Assay Description Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenz...				J Med Chem 58: 2091-113 (2015) Article DOI: 10.1021/jm5019093 BindingDB Entry DOI: 10.7270/Q26M38J9
Mayo Clinic College of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Histone acetyltransferase GCN5 (Saccharomyces cerevisiae S288c)	BDBM50076255 (CHEMBL3416316) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic College of Medicine Curated by ChEMBL					Assay Description Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenz...				J Med Chem 58: 2091-113 (2015) Article DOI: 10.1021/jm5019093 BindingDB Entry DOI: 10.7270/Q26M38J9
Mayo Clinic College of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50076255 (CHEMBL3416316) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged IMPDH1 expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD				Bioorg Med Chem 26: 5408-5419 (2018) Article DOI: 10.1016/j.bmc.2018.09.004 BindingDB Entry DOI: 10.7270/Q2KK9FGT
The University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair