BindingDB PrimarySearch

Found 591 hits with Last Name = 'ellinger' and Initial = 'b'
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
Trypanothione reductase (Trypanosoma cruzi)	BDBM50278487 (CHEMBL3585376) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of 125-I echistatin from Vitronectin receptor (alpha v beta3)				Eur J Med Chem 141: 138-148 (2017) Article DOI: 10.1016/j.ejmech.2017.10.005 BindingDB Entry DOI: 10.7270/Q2JD50B3
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50278488 (CHEMBL4159241) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction in NADPH consumption using varying levels of trypanothione disulfide as...				Eur J Med Chem 141: 138-148 (2017) Article DOI: 10.1016/j.ejmech.2017.10.005 BindingDB Entry DOI: 10.7270/Q2JD50B3
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50278486 (CHEMBL4160100) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Mixed-type inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction in NADPH consumption using varying levels of trypanothione d...				Eur J Med Chem 141: 138-148 (2017) Article DOI: 10.1016/j.ejmech.2017.10.005 BindingDB Entry DOI: 10.7270/Q2JD50B3
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551183 (CHEMBL4747846) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
TBA					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM77970 (3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction in NADPH consumption using varying levels of trypanothione disulfide as...				Eur J Med Chem 141: 138-148 (2017) Article DOI: 10.1016/j.ejmech.2017.10.005 BindingDB Entry DOI: 10.7270/Q2JD50B3
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551184 (CHEMBL4797185) Show SMILES Cn1cnc2c(N)nc(CCc3ccccc3)nc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
TBA					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551180 (CHEMBL4760251) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
TBA					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551177 (CHEMBL4762279) Show SMILES Nc1cc(NCc2ccc(cc2)-c2ccccc2)nc(N)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
TBA					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551178 (CHEMBL4785591) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
TBA					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50278489 (CHEMBL4170316) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Non-competitive inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction in NADPH consumption using varying levels of trypanothi...				Eur J Med Chem 141: 138-148 (2017) Article DOI: 10.1016/j.ejmech.2017.10.005 BindingDB Entry DOI: 10.7270/Q2JD50B3
University of Bologna Curated by ChEMBL					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551181 (CHEMBL54725) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.72E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
TBA					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50386758 (CHEMBL2046893) Show SMILES Fc1ccc(cc1)N(CCNCCCc1ccccc1)c1ccc(F)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
TBA					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551182 (CHEMBL4754292) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
TBA					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551179 (CHEMBL4778279) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
TBA					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551175 (CHEMBL1993081) Show SMILES Nc1nc(NCc2ccccc2)cc(NCc2ccccc2)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
TBA					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551174 (CHEMBL158919) Show SMILES Nc1cc(NCc2ccccc2)nc(N)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
TBA					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551173 (CHEMBL4753331) Show SMILES COc1ccc(COc2cc(N)nc(N)n2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
TBA					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50062821 (6-Benzyloxy-pyrimidine-2,4-diamine \| CHEMBL121445) Show SMILES Nc1cc(OCc2ccccc2)nc(N)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
TBA					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551176 (CHEMBL4748094) Show SMILES Nc1cc(NCc2ccc(F)cc2)nc(N)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
TBA					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600683 (CHEMBL5184936) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600703 (CHEMBL5201183) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600694 (CHEMBL5204239) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600702 (CHEMBL5199171) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600693 (CHEMBL5175012) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600684 (CHEMBL5182125) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600701 (CHEMBL5200612) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600679 (CHEMBL426 \| Methotrexate \| TCMDC-123832 \| TCMDC-12...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM228619 (US9345789, Z-DEVD-FMK) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD)					Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM228619 (US9345789, Z-DEVD-FMK) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD)					Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM46060 (2-(2,5-dimethylphenyl)-6-fluoranyl-1,2-benzothiazo...) Show SMILES Cc1ccc(C)c(c1)-n1sc2cc(F)ccc2c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD)					Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50050426 (6-(Naphthalen-1-ylaminomethyl)-pteridine-2,4-diami...) Show SMILES Nc1nc(N)c2nc(CNc3cccc4ccccc34)cnc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600700 (CHEMBL5188304) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600692 (CHEMBL5197107) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600689 (CHEMBL5175397) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600688 (CHEMBL5198855) Show SMILES Nc1nc(N)c2nc(cnc2n1)C(=O)NCc1ccccc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50050426 (6-(Naphthalen-1-ylaminomethyl)-pteridine-2,4-diami...) Show SMILES Nc1nc(N)c2nc(CNc3cccc4ccccc34)cnc2n1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600683 (CHEMBL5184936) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM46060 (2-(2,5-dimethylphenyl)-6-fluoranyl-1,2-benzothiazo...) Show SMILES Cc1ccc(C)c(c1)-n1sc2cc(F)ccc2c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD)					Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50009001 (5,6,7-Trihydroxyflavone \| 5,6,7-trihydroxy-2-pheny...) Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD)					Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM50600679 (CHEMBL426 \| Methotrexate \| TCMDC-123832 \| TCMDC-12...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600685 (CHEMBL5171609) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50600679 (CHEMBL426 \| Methotrexate \| TCMDC-123832 \| TCMDC-12...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one \| 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD)					Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600691 (CHEMBL5205559) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600694 (CHEMBL5204239) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50600693 (CHEMBL5175012) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM442806 (Bonaphthone) Show SMILES Brc1ccc2C(=O)C(=O)C=Cc2c1 \|c:9\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD)					Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR
					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600682 (CHEMBL5193564) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600690 (CHEMBL5206994) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair
Pteridine reductase, putative (Trypanosoma brucei brucei (strain 927/4 GUTat10.1))	BDBM50600679 (CHEMBL426 \| Methotrexate \| TCMDC-123832 \| TCMDC-12...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00232 BindingDB Entry DOI: 10.7270/Q2CJ8JJC
TBA					More data for this Ligand-Target Pair

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