Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Tryptophan-rich sensory protein/translocator protein (TSPO)'   

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
TspO-like protein (Fremyella diplosiphon (Cyanobacterium))	BDBM209868 (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	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/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
TspO-like protein (Fremyella diplosiphon (Cyanobacterium))	BDBM209869 (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 |c:1,25,t:19| 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 GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.63E+3	n/a	n/a	n/a	n/a	n/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
TspO-like protein (Fremyella diplosiphon (Cyanobacterium))	BDBM209867 (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 GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.05E+3	n/a	n/a	n/a	n/a	n/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
TspO-like protein (Fremyella diplosiphon (Cyanobacterium))	BDBM51757 (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 GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	5.14E+3	n/a	n/a	n/a	n/a	n/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
TspO-like protein (Fremyella diplosiphon (Cyanobacterium))	BDBM20192 ((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |t:9| 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	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.75E+5	n/a	n/a	n/a	n/a	n/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
TspO-like protein (Fremyella diplosiphon (Cyanobacterium))	BDBM20192 ((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |t:9| 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	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.02E+5	n/a	n/a	n/a	n/a	n/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