BDBM50474576 CHEMBL413290

SMILES: [H][C@]12[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]3([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]4([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]5([H])[#8]-[#6](-[#6][Te;v2][#6]-[#6]-[#6]-[#6])[C@@]([H])([#8][C@@]6([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]7([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]8([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8]1)[#6](-[#8])-[#6]8-[#8])[#6](-[#8])-[#6]7-[#8])[#6](-[#8])-[#6]6-[#8])[#6](-[#8])-[#6]5-[#8])[#6](-[#8])-[#6]4-[#8])[#6](-[#8])-[#6]3-[#8])[#6](-[#8])-[#6]2-[#8]

InChI Key: InChIKey=TVUIOIFSWJDWPQ-XAJNMBKESA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50474576   

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
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50474576 (CHEMBL413290) Show SMILES [H][C@]12[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]3([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]4([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]5([H])[#8]-[#6](-[#6][Te;v2][#6]-[#6]-[#6]-[#6])[C@@]([H])([#8][C@@]6([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]7([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]8([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8]1)[#6](-[#8])-[#6]8-[#8])[#6](-[#8])-[#6]7-[#8])[#6](-[#8])-[#6]6-[#8])[#6](-[#8])-[#6]5-[#8])[#6](-[#8])-[#6]4-[#8])[#6](-[#8])-[#6]3-[#8])[#6](-[#8])-[#6]2-[#8] Show InChI InChI=1S/C46H78O34Te/c1-2-3-4-81-11-18-39-25(59)32(66)46(73-18)79-38-17(10-52)71-44(30(64)23(38)57)77-36-15(8-50)69-42(28(62)21(36)55)75-34-13(6-48)67-40(26(60)19(34)53)74-33-12(5-47)68-41(27(61)20(33)54)76-35-14(7-49)70-43(29(63)22(35)56)78-37-16(9-51)72-45(80-39)31(65)24(37)58/h12-66H,2-11H2,1H3/t12?,13?,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33-,34-,35-,36-,37-,38-,39-,40+,41-,42-,43-,44-,45-,46-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase in the presence of thioredoxinand insulin				J Med Chem 47: 233-9 (2004) Article DOI: 10.1021/jm030916r BindingDB Entry DOI: 10.7270/Q2542RBW
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50474576 (CHEMBL413290) Show SMILES [H][C@]12[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]3([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]4([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]5([H])[#8]-[#6](-[#6][Te;v2][#6]-[#6]-[#6]-[#6])[C@@]([H])([#8][C@@]6([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]7([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]8([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8]1)[#6](-[#8])-[#6]8-[#8])[#6](-[#8])-[#6]7-[#8])[#6](-[#8])-[#6]6-[#8])[#6](-[#8])-[#6]5-[#8])[#6](-[#8])-[#6]4-[#8])[#6](-[#8])-[#6]3-[#8])[#6](-[#8])-[#6]2-[#8] Show InChI InChI=1S/C46H78O34Te/c1-2-3-4-81-11-18-39-25(59)32(66)46(73-18)79-38-17(10-52)71-44(30(64)23(38)57)77-36-15(8-50)69-42(28(62)21(36)55)75-34-13(6-48)67-40(26(60)19(34)53)74-33-12(5-47)68-41(27(61)20(33)54)76-35-14(7-49)70-43(29(63)22(35)56)78-37-16(9-51)72-45(80-39)31(65)24(37)58/h12-66H,2-11H2,1H3/t12?,13?,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33-,34-,35-,36-,37-,38-,39-,40+,41-,42-,43-,44-,45-,46-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				J Med Chem 47: 233-9 (2004) Article DOI: 10.1021/jm030916r BindingDB Entry DOI: 10.7270/Q2542RBW
					More data for this Ligand-Target Pair