Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'biot' and Initial = 'c'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glutathione reductase (Plasmodium falciparum (isolate 3D7))	BDBM50096018 (6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)H...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(O)=O |w:14.16| Show InChI InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h3,5-9,20-21H,2,4,10H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibitory concentration against Plasmodium falciparum glutathione reductase				J Med Chem 47: 5972-83 (2004) Article DOI: 10.1021/jm0497545 BindingDB Entry DOI: 10.7270/Q20R9NW4
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096018 (6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)H...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(O)=O |w:14.16| Show InChI InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h3,5-9,20-21H,2,4,10H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibitory concentration against human glutathione reductase				J Med Chem 47: 5972-83 (2004) Article DOI: 10.1021/jm0497545 BindingDB Entry DOI: 10.7270/Q20R9NW4
					More data for this Ligand-Target Pair
Sialin (Homo sapiens)	BDBM50545752 (CHEMBL4646356) Show SMILES OC(=O)[C@H](CSCc1cc(=O)oc2cc(O)ccc12)NC(=O)OCC1c2ccccc2-c2ccccc12 |r| Show InChI InChI=1S/C28H23NO7S/c30-17-9-10-18-16(11-26(31)36-25(18)12-17)14-37-15-24(27(32)33)29-28(34)35-13-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23-24,30H,13-15H2,(H,29,34)(H,32,33)/t24-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris Curated by ChEMBL					Assay Description Non-competitive inhibition of human recombinant-Sialin expressed in HEK293 cells assessed as reduction in [3H]Neu5Ac uptake incubated for 15 mins by ...				J Med Chem 63: 8231-8249 (2020) Article DOI: 10.1021/acs.jmedchem.9b02119 BindingDB Entry DOI: 10.7270/Q2PG1WB8
					More data for this Ligand-Target Pair
Sialin (Homo sapiens)	BDBM115093 ((2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-met...) Show SMILES CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O Show InChI InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris Curated by ChEMBL					Assay Description Non-competitive inhibition of human recombinant-Sialin expressed in HEK293 cells assessed as reduction in [3H]Neu5Ac uptake incubated for 15 mins by ...				J Med Chem 63: 8231-8249 (2020) Article DOI: 10.1021/acs.jmedchem.9b02119 BindingDB Entry DOI: 10.7270/Q2PG1WB8
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O |t:1| Show InChI InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibitory concentration against human glutathione reductase (In presence of glutathione disulfide)				J Med Chem 47: 5972-83 (2004) Article DOI: 10.1021/jm0497545 BindingDB Entry DOI: 10.7270/Q20R9NW4
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O |t:1| Show InChI InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibitory concentration against human glutathione reductase (In presence of NADPH)				J Med Chem 47: 5972-83 (2004) Article DOI: 10.1021/jm0497545 BindingDB Entry DOI: 10.7270/Q20R9NW4
					More data for this Ligand-Target Pair
Sialin (Homo sapiens)	BDBM50286804 ((R)-2-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4...) Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(O)=O Show InChI InChI=1S/C33H44N6O5/c1-22(2)18-26(37-33(44)39-16-10-4-5-11-17-39)30(40)35-27(19-23-21-38(3)29-14-7-6-13-25(23)29)31(41)36-28(32(42)43)20-24-12-8-9-15-34-24/h6-9,12-15,21-22,26-28H,4-5,10-11,16-20H2,1-3H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t26-,27+,28+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris Curated by ChEMBL					Assay Description Inhibition of human recombinant-Sialin expressed in HEK293 cells assessed as reduction in [3H]Neu5Ac uptake at 30 to 300 uM incubated for 15 mins by ...				J Med Chem 63: 8231-8249 (2020) Article DOI: 10.1021/acs.jmedchem.9b02119 BindingDB Entry DOI: 10.7270/Q2PG1WB8
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096018 (6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)H...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(O)=O |w:14.16| Show InChI InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h3,5-9,20-21H,2,4,10H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille Curated by ChEMBL					Assay Description In vitro inhibition of Plasmodium falciparum Glutathione Reductase				J Med Chem 44: 4268-76 (2001) BindingDB Entry DOI: 10.7270/Q20V8C2Q
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096035 (6-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCCC(O)=O |w:15.17| Show InChI InChI=1S/C17H18O5/c1-10-11(6-3-2-4-9-14(19)20)17(22)15-12(16(10)21)7-5-8-13(15)18/h3,5-8,18,21-22H,2,4,9H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille Curated by ChEMBL					Assay Description In vitro inhibition of human Glutathione Reductase				J Med Chem 44: 4268-76 (2001) BindingDB Entry DOI: 10.7270/Q20V8C2Q
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096062 (5-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCC(O)=O |w:15.17| Show InChI InChI=1S/C16H16O5/c1-9-10(5-2-3-8-13(18)19)16(21)14-11(15(9)20)6-4-7-12(14)17/h2,4-7,17,20-21H,3,8H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille Curated by ChEMBL					Assay Description In vitro inhibition of human Glutathione Reductase				J Med Chem 44: 4268-76 (2001) BindingDB Entry DOI: 10.7270/Q20V8C2Q
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096035 (6-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCCC(O)=O |w:15.17| Show InChI InChI=1S/C17H18O5/c1-10-11(6-3-2-4-9-14(19)20)17(22)15-12(16(10)21)7-5-8-13(15)18/h3,5-8,18,21-22H,2,4,9H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille Curated by ChEMBL					Assay Description In vitro inhibition of Plasmodium falciparum Glutathione Reductase				J Med Chem 44: 4268-76 (2001) BindingDB Entry DOI: 10.7270/Q20V8C2Q
					More data for this Ligand-Target Pair
Sialin (Homo sapiens)	BDBM50545752 (CHEMBL4646356) Show SMILES OC(=O)[C@H](CSCc1cc(=O)oc2cc(O)ccc12)NC(=O)OCC1c2ccccc2-c2ccccc12 |r| Show InChI InChI=1S/C28H23NO7S/c30-17-9-10-18-16(11-26(31)36-25(18)12-17)14-37-15-24(27(32)33)29-28(34)35-13-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23-24,30H,13-15H2,(H,29,34)(H,32,33)/t24-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris Curated by ChEMBL					Assay Description Inhibition of human recombinant-Sialin expressed in HEK293 cells assessed as reduction in [3H]Neu5Ac uptake at 30 to 300 uM incubated for 15 mins by ...				J Med Chem 63: 8231-8249 (2020) Article DOI: 10.1021/acs.jmedchem.9b02119 BindingDB Entry DOI: 10.7270/Q2PG1WB8
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096062 (5-(8-Hydroxy-3-methyl-1,4-dioxo-1,4-dihydro-naphth...) Show SMILES Cc1c(O)c2cccc(O)c2c(O)c1C=CCCC(O)=O |w:15.17| Show InChI InChI=1S/C16H16O5/c1-9-10(5-2-3-8-13(18)19)16(21)14-11(15(9)20)6-4-7-12(14)17/h2,4-7,17,20-21H,3,8H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille Curated by ChEMBL					Assay Description In vitro inhibition of Plasmodium falciparum Glutathione Reductase				J Med Chem 44: 4268-76 (2001) BindingDB Entry DOI: 10.7270/Q20V8C2Q
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096018 (6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)H...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(O)=O |w:14.16| Show InChI InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h3,5-9,20-21H,2,4,10H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille Curated by ChEMBL					Assay Description In vitro inhibition of human Glutathione Reductase				J Med Chem 44: 4268-76 (2001) BindingDB Entry DOI: 10.7270/Q20V8C2Q
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096018 (6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)H...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(O)=O |w:14.16| Show InChI InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h3,5-9,20-21H,2,4,10H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibitory concentration against human glutathione reductase in the the presence of 200 uM exogenous NADP				J Med Chem 47: 5972-83 (2004) Article DOI: 10.1021/jm0497545 BindingDB Entry DOI: 10.7270/Q20R9NW4
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096071 (5-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCC(O)=O |w:14.16| Show InChI InChI=1S/C16H16O4/c1-10-11(6-4-5-9-14(17)18)16(20)13-8-3-2-7-12(13)15(10)19/h2-4,6-8,19-20H,5,9H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille Curated by ChEMBL					Assay Description In vitro inhibition of human Glutathione Reductase				J Med Chem 44: 4268-76 (2001) BindingDB Entry DOI: 10.7270/Q20V8C2Q
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096018 (6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)H...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(O)=O |w:14.16| Show InChI InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h3,5-9,20-21H,2,4,10H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibitory concentration against human glutathione reductase in the the presence of 200 uM exogenous NADP				J Med Chem 47: 5972-83 (2004) Article DOI: 10.1021/jm0497545 BindingDB Entry DOI: 10.7270/Q20R9NW4
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096018 (6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)H...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(O)=O |w:14.16| Show InChI InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h3,5-9,20-21H,2,4,10H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibitory concentration against human glutathione reductase in the absence of glucose-6-phosphate dehydrogenase (G6PDH)				J Med Chem 47: 5972-83 (2004) Article DOI: 10.1021/jm0497545 BindingDB Entry DOI: 10.7270/Q20R9NW4
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096018 (6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)H...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(O)=O |w:14.16| Show InChI InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h3,5-9,20-21H,2,4,10H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibitory concentration against human glutathione reductase				J Med Chem 47: 5972-83 (2004) Article DOI: 10.1021/jm0497545 BindingDB Entry DOI: 10.7270/Q20R9NW4
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50096071 (5-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCC(O)=O |w:14.16| Show InChI InChI=1S/C16H16O4/c1-10-11(6-4-5-9-14(17)18)16(20)13-8-3-2-7-12(13)15(10)19/h2-4,6-8,19-20H,5,9H2,1H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille Curated by ChEMBL					Assay Description In vitro inhibition of Plasmodium falciparum Glutathione Reductase				J Med Chem 44: 4268-76 (2001) BindingDB Entry DOI: 10.7270/Q20V8C2Q
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50225295 ((E)-4-(2-(7-chloroquinolin-4-ylamino)ethyl)-1-(4-(...) Show SMILES CC(CC(=O)c1ccc(Cl)c(Cl)c1)=NNC(=S)NCCNc1ccnc2cc(Cl)ccc12 |w:13.14| Show InChI InChI=1S/C22H20Cl3N5OS/c1-13(10-21(31)14-2-5-17(24)18(25)11-14)29-30-22(32)28-9-8-27-19-6-7-26-20-12-15(23)3-4-16(19)20/h2-7,11-12H,8-10H2,1H3,(H,26,27)(H2,28,30,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum W2 recombinant falcipain-2 activity				Bioorg Med Chem Lett 17: 6434-8 (2007) Article DOI: 10.1016/j.bmcl.2007.10.003 BindingDB Entry DOI: 10.7270/Q2959H8B
					More data for this Ligand-Target Pair
Glutathione reductase (Plasmodium falciparum (isolate 3D7))	BDBM50096018 (6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)H...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCCC(O)=O |w:14.16| Show InChI InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h3,5-9,20-21H,2,4,10H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibitory concentration against Plasmodium falciparum glutathione reductase				J Med Chem 47: 5972-83 (2004) Article DOI: 10.1021/jm0497545 BindingDB Entry DOI: 10.7270/Q20R9NW4
					More data for this Ligand-Target Pair
Glutathione reductase (Plasmodium falciparum (isolate 3D7))	BDBM50241461 (3,7-bis(dimethylamino)phenothiazin-5-ium chloride ...) Show SMILES CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C |(17.73,-40.24,;19.06,-41.01,;19.06,-42.55,;20.39,-40.24,;20.4,-38.7,;21.73,-37.93,;23.06,-38.69,;24.39,-37.91,;25.73,-38.69,;27.06,-37.93,;28.39,-38.69,;28.39,-40.23,;27.06,-41,;25.73,-40.23,;24.39,-41.01,;23.06,-40.24,;21.73,-41.01,;29.73,-41,;29.73,-42.54,;31.06,-40.23,)| Show InChI InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibitory concentration against Plasmodium falciparum glutathione reductase				J Med Chem 47: 5972-83 (2004) Article DOI: 10.1021/jm0497545 BindingDB Entry DOI: 10.7270/Q20R9NW4
					More data for this Ligand-Target Pair
Glutathione reductase (Plasmodium falciparum (isolate 3D7))	BDBM50156159 (3-{5-[4-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCc1nnnn1CCC#N |w:14.16| Show InChI InChI=1S/C19H19N5O2/c1-13-14(19(26)16-9-3-2-8-15(16)18(13)25)7-4-5-10-17-21-22-23-24(17)12-6-11-20/h2-4,7-9,25-26H,5-6,10,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibitory concentration against Plasmodium falciparum glutathione reductase				J Med Chem 47: 5972-83 (2004) Article DOI: 10.1021/jm0497545 BindingDB Entry DOI: 10.7270/Q20R9NW4
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50225297 ((E)-1-(4-(4-bromophenyl)-4-oxobutan-2-ylidene)-4-(...) Show SMILES CC(CC(=O)c1ccc(Br)cc1)=NNC(=S)NCCNc1ccnc2cc(Cl)ccc12 |w:12.13| Show InChI InChI=1S/C22H21BrClN5OS/c1-14(12-21(30)15-2-4-16(23)5-3-15)28-29-22(31)27-11-10-26-19-8-9-25-20-13-17(24)6-7-18(19)20/h2-9,13H,10-12H2,1H3,(H,25,26)(H2,27,29,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum W2 recombinant falcipain-2 activity				Bioorg Med Chem Lett 17: 6434-8 (2007) Article DOI: 10.1016/j.bmcl.2007.10.003 BindingDB Entry DOI: 10.7270/Q2959H8B
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50241461 (3,7-bis(dimethylamino)phenothiazin-5-ium chloride ...) Show SMILES CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C |(17.73,-40.24,;19.06,-41.01,;19.06,-42.55,;20.39,-40.24,;20.4,-38.7,;21.73,-37.93,;23.06,-38.69,;24.39,-37.91,;25.73,-38.69,;27.06,-37.93,;28.39,-38.69,;28.39,-40.23,;27.06,-41,;25.73,-40.23,;24.39,-41.01,;23.06,-40.24,;21.73,-41.01,;29.73,-41,;29.73,-42.54,;31.06,-40.23,)| Show InChI InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibitory concentration against human glutathione reductase				J Med Chem 47: 5972-83 (2004) Article DOI: 10.1021/jm0497545 BindingDB Entry DOI: 10.7270/Q20R9NW4
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50225296 ((E)-1-(4-(4-bromophenyl)-4-oxobutan-2-ylidene)-4-(...) Show SMILES CC(CC(=O)c1ccc(Br)cc1)=NNC(=S)NCCCNc1ccnc2cc(Cl)ccc12 |w:12.13| Show InChI InChI=1S/C23H23BrClN5OS/c1-15(13-22(31)16-3-5-17(24)6-4-16)29-30-23(32)28-11-2-10-26-20-9-12-27-21-14-18(25)7-8-19(20)21/h3-9,12,14H,2,10-11,13H2,1H3,(H,26,27)(H2,28,30,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum W2 recombinant falcipain-2 activity				Bioorg Med Chem Lett 17: 6434-8 (2007) Article DOI: 10.1016/j.bmcl.2007.10.003 BindingDB Entry DOI: 10.7270/Q2959H8B
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50225298 ((E)-4-(3-(7-chloroquinolin-4-ylamino)propyl)-1-(4-...) Show SMILES CC(CC(=O)c1ccc(Cl)c(Cl)c1)=NNC(=S)NCCCNc1ccnc2cc(Cl)ccc12 |w:13.14| Show InChI InChI=1S/C23H22Cl3N5OS/c1-14(11-22(32)15-3-6-18(25)19(26)12-15)30-31-23(33)29-9-2-8-27-20-7-10-28-21-13-16(24)4-5-17(20)21/h3-7,10,12-13H,2,8-9,11H2,1H3,(H,27,28)(H2,29,31,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum W2 recombinant falcipain-2 activity				Bioorg Med Chem Lett 17: 6434-8 (2007) Article DOI: 10.1016/j.bmcl.2007.10.003 BindingDB Entry DOI: 10.7270/Q2959H8B
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50156161 (5-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCC(=O)NCCC#N |w:14.16| Show InChI InChI=1S/C19H20N2O3/c1-13-14(7-4-5-10-17(22)21-12-6-11-20)19(24)16-9-3-2-8-15(16)18(13)23/h2-4,7-9,23-24H,5-6,10,12H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibitory concentration against human glutathione reductase				J Med Chem 47: 5972-83 (2004) Article DOI: 10.1021/jm0497545 BindingDB Entry DOI: 10.7270/Q20R9NW4
					More data for this Ligand-Target Pair
Sialin (Homo sapiens)	BDBM115093 ((2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-met...) Show SMILES CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O Show InChI InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris Curated by ChEMBL					Assay Description Inhibition of human recombinant-Sialin expressed in HEK293 cells assessed as reduction in [3H]Neu5Ac uptake at 30 to 300 uM incubated for 15 mins by ...				J Med Chem 63: 8231-8249 (2020) Article DOI: 10.1021/acs.jmedchem.9b02119 BindingDB Entry DOI: 10.7270/Q2PG1WB8
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50156159 (3-{5-[4-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCc1nnnn1CCC#N |w:14.16| Show InChI InChI=1S/C19H19N5O2/c1-13-14(19(26)16-9-3-2-8-15(16)18(13)25)7-4-5-10-17-21-22-23-24(17)12-6-11-20/h2-4,7-9,25-26H,5-6,10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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
Université Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibitory concentration against human glutathione reductase				J Med Chem 47: 5972-83 (2004) Article DOI: 10.1021/jm0497545 BindingDB Entry DOI: 10.7270/Q20R9NW4
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Unit£ de Catalyse et Chimie du Solide - UMR CNRS 8181 Curated by ChEMBL					Assay Description Inhibition of lipid-induced beta-hematin formation				J Med Chem 49: 4707-14 (2006) Article DOI: 10.1021/jm060259d BindingDB Entry DOI: 10.7270/Q2PN96T1
					More data for this Ligand-Target Pair
Glutathione reductase (Plasmodium falciparum (isolate 3D7))	BDBM50156161 (5-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)...) Show SMILES Cc1c(O)c2ccccc2c(O)c1C=CCCC(=O)NCCC#N |w:14.16| Show InChI InChI=1S/C19H20N2O3/c1-13-14(7-4-5-10-17(22)21-12-6-11-20)19(24)16-9-3-2-8-15(16)18(13)23/h2-4,7-9,23-24H,5-6,10,12H2,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by ChEMBL					Assay Description Inhibitory concentration against Plasmodium falciparum glutathione reductase				J Med Chem 47: 5972-83 (2004) Article DOI: 10.1021/jm0497545 BindingDB Entry DOI: 10.7270/Q20R9NW4
					More data for this Ligand-Target Pair