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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Tryptophan-rich sensory protein/translocator protein (TSPO)' AND taxid = 1197   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tryptophan-rich sensory protein/translocator protein (TSPO)


(Fremyella diplosiphon (Cyanobacterium))
BDBM51757
PNG
(3-[(1Z,4Z,9Z,15Z)-18-(2-Carboxy-ethyl)-3,7,12,17-t...)
Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O
Show InChI InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
UniProtKB/TrEMBL

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Article
PubMed
n/an/an/a 5.14E+3n/an/an/an/an/a



Michigan State University



Assay Description
Tryptophan fluorescence measurements were performed with purified FdTSPO1 protein and ligand essentially as described by Li et al.; 2.5 μM prote...


Biochemistry 56: 73-84 (2017)


Article DOI: 10.1021/acs.biochem.6b01019
BindingDB Entry DOI: 10.7270/Q2F47N0J
More data for this
Ligand-Target Pair
Tryptophan-rich sensory protein/translocator protein (TSPO)


(Fremyella diplosiphon (Cyanobacterium))
BDBM209867
PNG
(3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetr...)
Show SMILES CCc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)c(C)c5CCC(O)=O)c(CCC(O)=O)c4C)c(C)c3CC
Show InChI InChI=1S/C34H38N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h13-16,35-36H,7-12H2,1-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
UniProtKB/TrEMBL

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UniChem
Article
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n/an/an/a 5.05E+3n/an/an/an/an/a



Michigan State University



Assay Description
Tryptophan fluorescence measurements were performed with purified FdTSPO1 protein and ligand essentially as described by Li et al.; 2.5 μM prote...


Biochemistry 56: 73-84 (2017)


Article DOI: 10.1021/acs.biochem.6b01019
BindingDB Entry DOI: 10.7270/Q2F47N0J
More data for this
Ligand-Target Pair
Tryptophan-rich sensory protein/translocator protein (TSPO)


(Fremyella diplosiphon (Cyanobacterium))
BDBM20192
PNG
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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Article
PubMed
n/an/an/a 2.02E+5n/an/an/an/an/a



Michigan State University



Assay Description
Tryptophan fluorescence measurements were performed with purified FdTSPO1 protein and ligand essentially as described by Li et al.; 2.5 μM prote...


Biochemistry 56: 73-84 (2017)


Article DOI: 10.1021/acs.biochem.6b01019
BindingDB Entry DOI: 10.7270/Q2F47N0J
More data for this
Ligand-Target Pair
Tryptophan-rich sensory protein/translocator protein (TSPO)


(Fremyella diplosiphon (Cyanobacterium))
BDBM209869
PNG
(3-[(2E,5E)-2-[[3-(2-carboxyethyl)-5-[(E)-(3-etheny...)
Show SMILES CC1=C(C=C)\C(NC1=O)=C/c1[nH]c(\C=c2\[nH]\c(=C\C3=NC(=O)C(C=C)=C3C)c(C)c2CCC(O)=O)c(CCC(O)=O)c1C
Show InChI InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13+,27-14+,28-15+
UniProtKB/TrEMBL

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UniChem
Article
PubMed
n/an/an/a 4.63E+3n/an/an/an/an/a



Michigan State University



Assay Description
Tryptophan fluorescence measurements were performed with purified FdTSPO1 protein and ligand essentially as described by Li et al.; 2.5 μM prote...


Biochemistry 56: 73-84 (2017)


Article DOI: 10.1021/acs.biochem.6b01019
BindingDB Entry DOI: 10.7270/Q2F47N0J
More data for this
Ligand-Target Pair
Tryptophan-rich sensory protein/translocator protein (TSPO)


(Fremyella diplosiphon (Cyanobacterium))
BDBM20192
PNG
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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Article
PubMed
n/an/an/a 1.75E+5n/an/an/an/an/a



Michigan State University



Assay Description
Tryptophan fluorescence measurements were performed with purified FdTSPO1 protein and ligand essentially as described by Li et al.; 2.5 μM prote...


Biochemistry 56: 73-84 (2017)


Article DOI: 10.1021/acs.biochem.6b01019
BindingDB Entry DOI: 10.7270/Q2F47N0J
More data for this
Ligand-Target Pair
Tryptophan-rich sensory protein/translocator protein (TSPO)


(Fremyella diplosiphon (Cyanobacterium))
BDBM209868
PNG
(3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17...)
Show SMILES Cc1c(C=C)c2cc3[n-]c(cc4[n-]c(cc5nc(cc1n2)c(C=C)c5C)c(C)c4CCC(O)=O)c(CCC(O)=O)c3C
Show InChI InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42)/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.91E+3n/an/an/an/an/a



Michigan State University



Assay Description
Tryptophan fluorescence measurements were performed with purified FdTSPO1 protein and ligand essentially as described by Li et al.; 2.5 μM prote...


Biochemistry 56: 73-84 (2017)


Article DOI: 10.1021/acs.biochem.6b01019
BindingDB Entry DOI: 10.7270/Q2F47N0J
More data for this
Ligand-Target Pair