Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'inhoff' and Initial = 'o'   

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
Trypanothione reductase (Trypanosoma cruzi)	BDBM50170723 (1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide...) Show SMILES NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,5.5| Show InChI InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Universit£t Heidelberg Curated by ChEMBL					Assay Description Inhibitory constant against recombinant Trypanosoma cruzi trypanothione reductase was determined photometrically at 25 degree C in TR assay buffer (4...				J Med Chem 48: 4793-802 (2005) Article DOI: 10.1021/jm050027z BindingDB Entry DOI: 10.7270/Q2XK8GB5
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50170727 (4,4'-Bis(4-benzyloxy-3-methoxybenzimidoylamino)-di...) Show SMILES COc1cc(ccc1OCc1ccccc1)C(N)=Nc1ccc(Oc2ccc(cc2)N=C(N)c2ccc(OCc3ccccc3)c(OC)c2)cc1 |w:30.32,18.20| Show InChI InChI=1S/C42H38N4O5/c1-47-39-25-31(13-23-37(39)49-27-29-9-5-3-6-10-29)41(43)45-33-15-19-35(20-16-33)51-36-21-17-34(18-22-36)46-42(44)32-14-24-38(40(26-32)48-2)50-28-30-11-7-4-8-12-30/h3-26H,27-28H2,1-2H3,(H2,43,45)(H2,44,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Universit£t Heidelberg Curated by ChEMBL					Assay Description Inhibitory constant against recombinant Trypanosoma cruzi trypanothione reductase was determined photometrically at 25 degree C in TR assay buffer (4...				J Med Chem 48: 4793-802 (2005) Article DOI: 10.1021/jm050027z BindingDB Entry DOI: 10.7270/Q2XK8GB5
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50170726 (4,4'-Bis(4-benzyloxy-3-methoxybenzimidoylamino)dic...) Show SMILES COc1cc(ccc1OCc1ccccc1)C(N)=NC1CCC(CC2CCC(CC2)N=C(N)c2ccc(OCc3ccccc3)c(OC)c2)CC1 |w:18.20,30.32,(-1.23,-7.92,;.33,-7.9,;1.12,-9.21,;2.66,-9.19,;3.45,-10.52,;2.7,-11.87,;1.15,-11.89,;.36,-10.56,;-1.16,-10.59,;-1.93,-11.94,;-3.47,-11.96,;-4.22,-13.3,;-5.75,-13.33,;-6.55,-12,;-5.79,-10.66,;-4.28,-10.63,;4.9,-11,;5.23,-12.5,;6.06,-9.97,;7.51,-10.45,;8.65,-9.42,;10.1,-9.89,;10.42,-11.4,;11.89,-11.87,;13.03,-10.84,;14.5,-11.33,;15.64,-10.3,;15.32,-8.79,;13.85,-8.33,;12.71,-9.35,;16.46,-7.77,;17.92,-8.23,;18.25,-9.74,;18.67,-6.88,;20.21,-6.83,;20.95,-5.48,;20.14,-4.16,;20.86,-2.8,;22.4,-2.73,;23.12,-1.38,;22.3,-.08,;23.02,1.3,;24.56,1.37,;25.38,.04,;24.66,-1.33,;18.59,-4.22,;17.78,-2.92,;18.5,-1.57,;17.87,-5.55,;9.28,-12.43,;7.83,-11.95,)| Show InChI InChI=1S/C43H52N4O4/c1-48-40-26-34(17-23-38(40)50-28-32-9-5-3-6-10-32)42(44)46-36-19-13-30(14-20-36)25-31-15-21-37(22-16-31)47-43(45)35-18-24-39(41(27-35)49-2)51-29-33-11-7-4-8-12-33/h3-12,17-18,23-24,26-27,30-31,36-37H,13-16,19-22,25,28-29H2,1-2H3,(H2,44,46)(H2,45,47)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Universit£t Heidelberg Curated by ChEMBL					Assay Description Inhibitory constant against recombinant Trypanosoma cruzi trypanothione reductase was determined photometrically at 25 degree C in TR assay buffer (4...				J Med Chem 48: 4793-802 (2005) Article DOI: 10.1021/jm050027z BindingDB Entry DOI: 10.7270/Q2XK8GB5
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50170724 (1,8-Bis(4-benzyloxy-3-methoxybenzimidoylamino)octa...) Show SMILES COc1cc(ccc1OCc1ccccc1)C(=N)NCCCCCCCCNC(=N)c1ccc(OCc2ccccc2)c(OC)c1 Show InChI InChI=1S/C38H46N4O4/c1-43-35-25-31(19-21-33(35)45-27-29-15-9-7-10-16-29)37(39)41-23-13-5-3-4-6-14-24-42-38(40)32-20-22-34(36(26-32)44-2)46-28-30-17-11-8-12-18-30/h7-12,15-22,25-26H,3-6,13-14,23-24,27-28H2,1-2H3,(H2,39,41)(H2,40,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Universit£t Heidelberg Curated by ChEMBL					Assay Description Inhibitory constant against recombinant Trypanosoma cruzi trypanothione reductase was determined photometrically at 25 degree C in TR assay buffer (4...				J Med Chem 48: 4793-802 (2005) Article DOI: 10.1021/jm050027z BindingDB Entry DOI: 10.7270/Q2XK8GB5
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50370594 (CHEMBL1794917) Show SMILES N=C(CCCCCCCC(=N)NCC#Cc1ccccc1)NCC#Cc1ccccc1 Show InChI InChI=1S/C27H32N4/c28-26(30-22-12-18-24-14-6-4-7-15-24)20-10-2-1-3-11-21-27(29)31-23-13-19-25-16-8-5-9-17-25/h4-9,14-17H,1-3,10-11,20-23H2,(H2,28,30)(H2,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Universit£t Heidelberg Curated by ChEMBL					Assay Description Competitive inhibitory constant against recombinant Trypanosoma cruzi trypanothione reductase was determined photometrically at 25 degree C in TR ass...				J Med Chem 48: 4793-802 (2005) Article DOI: 10.1021/jm050027z BindingDB Entry DOI: 10.7270/Q2XK8GB5
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50170722 (4-[2-(4-Nitro-phenyl)-2-oxo-acetylamino]-piperidin...) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)C(=O)NC1(CCNCC1)C(=O)NCCNC(=O)Cc1cccc2ccccc12 Show InChI InChI=1S/C28H29N5O6/c34-24(18-21-6-3-5-19-4-1-2-7-23(19)21)30-16-17-31-27(37)28(12-14-29-15-13-28)32-26(36)25(35)20-8-10-22(11-9-20)33(38)39/h1-11,29H,12-18H2,(H,30,34)(H,31,37)(H,32,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Universit£t Heidelberg Curated by ChEMBL					Assay Description Inhibitory constant against recombinant Trypanosoma cruzi trypanothione reductase was determined photometrically at 25 degree C in TR assay buffer (4...				J Med Chem 48: 4793-802 (2005) Article DOI: 10.1021/jm050027z BindingDB Entry DOI: 10.7270/Q2XK8GB5
					More data for this Ligand-Target Pair
Glutathione reductase, mitochondrial (Homo sapiens (Human))	BDBM50170723 (1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide...) Show SMILES NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,5.5| Show InChI InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.92E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Heidelberg Curated by ChEMBL					Assay Description Inhibitory constant against human glutathione reductase				J Med Chem 48: 4793-802 (2005) Article DOI: 10.1021/jm050027z BindingDB Entry DOI: 10.7270/Q2XK8GB5
					More data for this Ligand-Target Pair