SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 442.3
BDBM50135169

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

Found 17 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
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50135169 ((-)-Catechin gallate \| (2S,3R)-2-(3,4-dihydroxyphe...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Inhibition of FabI				J Med Chem 49: 3345-53 (2006) Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS
University of Zurich Curated by ChEMBL					More data for this Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase (Plasmodium falciparum)	BDBM50135169 ((-)-Catechin gallate \| (2S,3R)-2-(3,4-dihydroxyphe...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Inhibition of FabZ				J Med Chem 49: 3345-53 (2006) Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS
University of Zurich Curated by ChEMBL					More data for this Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50135169 ((-)-Catechin gallate \| (2S,3R)-2-(3,4-dihydroxyphe...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Inhibition of FabG in presence of NADPH				J Med Chem 49: 3345-53 (2006) Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS
University of Zurich Curated by ChEMBL					More data for this Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50135169 ((-)-Catechin gallate \| (2S,3R)-2-(3,4-dihydroxyphe...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Inhibition of FabG in presence of acetoacetyl-CoA				J Med Chem 49: 3345-53 (2006) Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS
University of Zurich Curated by ChEMBL					More data for this Ligand-Target Pair
Proteasome subunit beta type-5 (Homo sapiens (Human))	BDBM50135169 ((-)-Catechin gallate \| (2S,3R)-2-(3,4-dihydroxyphe...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Agricultural and Food Biotechnology Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like activity of purified human 20S proteasome assessed as decrease in AMC hydrolysis using Suc-Leu-Leu-Val-Tyr-AMC as sub...				Eur J Med Chem 167: 291-311 (2019) Article DOI: 10.1016/j.ejmech.2019.01.044 BindingDB Entry DOI: 10.7270/Q2ST7TB3
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50135169 ((-)-Catechin gallate \| (2S,3R)-2-(3,4-dihydroxyphe...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128675 BindingDB Entry DOI: 10.7270/Q2639TS5
TBA					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Saccharomyces cerevisiae S288c)	BDBM50135169 ((-)-Catechin gallate \| (2S,3R)-2-(3,4-dihydroxyphe...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
AmorePacific Corporation Curated by ChEMBL					Assay Description Inhibition of yeast G6PD				Bioorg Med Chem 16: 3580-6 (2008) Article DOI: 10.1016/j.bmc.2008.02.030 BindingDB Entry DOI: 10.7270/Q2F190K1
AmorePacific Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50135169 ((-)-Catechin gallate \| (2S,3R)-2-(3,4-dihydroxyphe...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Inhibition of FabI				J Med Chem 49: 3345-53 (2006) Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS
University of Zurich Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50135169 ((-)-Catechin gallate \| (2S,3R)-2-(3,4-dihydroxyphe...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FabI				Bioorg Med Chem Lett 20: 4779-81 (2010) Article DOI: 10.1016/j.bmcl.2010.06.120 BindingDB Entry DOI: 10.7270/Q2C82D49
CSIR-Central Drug Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
3-hydroxyacyl-[acyl-carrier-protein] dehydratase (Plasmodium falciparum)	BDBM50135169 ((-)-Catechin gallate \| (2S,3R)-2-(3,4-dihydroxyphe...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Inhibition of FabZ				J Med Chem 49: 3345-53 (2006) Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS
University of Zurich Curated by ChEMBL					More data for this Ligand-Target Pair
Pyruvate kinase PKM (Homo sapiens (Human))	BDBM50135169 ((-)-Catechin gallate \| (2S,3R)-2-(3,4-dihydroxyphe...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00981 BindingDB Entry DOI: 10.7270/Q2M330SP
TBA					More data for this Ligand-Target Pair
3-oxoacyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM50135169 ((-)-Catechin gallate \| (2S,3R)-2-(3,4-dihydroxyphe...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Inhibition of FabG				J Med Chem 49: 3345-53 (2006) Article DOI: 10.1021/jm0600545 BindingDB Entry DOI: 10.7270/Q2639QJS
University of Zurich Curated by ChEMBL					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase, decarboxylating (Homo sapiens (Human))	BDBM50135169 ((-)-Catechin gallate \| (2S,3R)-2-(3,4-dihydroxyphe...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
AmorePacific Corporation Curated by ChEMBL					Assay Description Inhibition of 6PGD				Bioorg Med Chem 16: 3580-6 (2008) Article DOI: 10.1016/j.bmc.2008.02.030 BindingDB Entry DOI: 10.7270/Q2F190K1
AmorePacific Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-6 (Homo sapiens (Human))	BDBM50135169 ((-)-Catechin gallate \| (2S,3R)-2-(3,4-dihydroxyphe...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at adrenergic Alpha-1B receptor in guinea pig spleen				Citation and Details
TBA					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-6 (Homo sapiens (Human))	BDBM50135169 ((-)-Catechin gallate \| (2S,3R)-2-(3,4-dihydroxyphe...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at adrenergic alpha1A receptor in rat tail artery				Citation and Details
TBA					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50135169 ((-)-Catechin gallate \| (2S,3R)-2-(3,4-dihydroxyphe...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against recombinant human Beta-secretase 1				Bioorg Med Chem Lett 13: 3905-8 (2003) BindingDB Entry DOI: 10.7270/Q28K78HN
Kyungpook National University Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50135169 ((-)-Catechin gallate \| (2S,3R)-2-(3,4-dihydroxyphe...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human alpha-synuclein filament formation expressed in Escherichia coli BL21(DE3) cells incubated for 72 hrs by thioflavin S based fluor...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.045 BindingDB Entry DOI: 10.7270/Q2H998V9
TBA					More data for this Ligand-Target Pair