Compile Data Set for Download or QSAR

Found 4 hits of ki for UniProtKB: P39040   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Trypanothione reductase (Crithidia fasciculata)	BDBM50240622 (3-(3,4-Dihydroxy-phenyl)-N-[3-(4-{3-[3-(3,4-dihydr...) Show SMILES Oc1ccc(CCC(=O)NCCCNCCCCNCCCNC(=O)CCc2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C28H42N4O6/c33-23-9-5-21(19-25(23)35)7-11-27(37)31-17-3-15-29-13-1-2-14-30-16-4-18-32-28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,29-30,33-36H,1-4,7-8,11-18H2,(H,31,37)(H,32,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pontificia Universidad Catolica del Peru Curated by ChEMBL					Assay Description Inhibition of Crithidia fasciculata free trypanothione reductase				Bioorg Med Chem 16: 6689-95 (2008) Article DOI: 10.1016/j.bmc.2008.05.074 BindingDB Entry DOI: 10.7270/Q2F18ZHB
					More data for this Ligand-Target Pair
Trypanothione reductase (Crithidia fasciculata)	BDBM50240622 (3-(3,4-Dihydroxy-phenyl)-N-[3-(4-{3-[3-(3,4-dihydr...) Show SMILES Oc1ccc(CCC(=O)NCCCNCCCCNCCCNC(=O)CCc2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C28H42N4O6/c33-23-9-5-21(19-25(23)35)7-11-27(37)31-17-3-15-29-13-1-2-14-30-16-4-18-32-28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,29-30,33-36H,1-4,7-8,11-18H2,(H,31,37)(H,32,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars		1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Trypanothione reductase (Crithidia fasciculata)	BDBM50240622 (3-(3,4-Dihydroxy-phenyl)-N-[3-(4-{3-[3-(3,4-dihydr...) Show SMILES Oc1ccc(CCC(=O)NCCCNCCCCNCCCNC(=O)CCc2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C28H42N4O6/c33-23-9-5-21(19-25(23)35)7-11-27(37)31-17-3-15-29-13-1-2-14-30-16-4-18-32-28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,29-30,33-36H,1-4,7-8,11-18H2,(H,31,37)(H,32,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pontificia Universidad Catolica del Peru Curated by ChEMBL					Assay Description Inhibition of Crithidia fasciculata trypanothione reductase-substrate complex				Bioorg Med Chem 16: 6689-95 (2008) Article DOI: 10.1016/j.bmc.2008.05.074 BindingDB Entry DOI: 10.7270/Q2F18ZHB
					More data for this Ligand-Target Pair
Trypanothione reductase (Crithidia fasciculata)	BDBM50615384 (CHEMBL80264) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	UniChem		8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair