Compile Data Set for Download or QSAR

Found 1390 hits with Last Name = 'kassiou' and Initial = 'm'   

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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50390197 (CHEMBL1917286) Show SMILES FCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C22H25FN2O2/c23-9-14-26-20-7-5-18(6-8-20)16-24-10-12-25(13-11-24)17-21-15-19-3-1-2-4-22(19)27-21/h1-8,15H,9-14,16-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50390205 (CHEMBL2069863) Show SMILES FCCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C23H27FN2O2/c24-10-15-27-21-8-6-19(7-9-21)17-25-11-3-12-26(14-13-25)18-22-16-20-4-1-2-5-23(20)28-22/h1-2,4-9,16H,3,10-15,17-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50390207 (CHEMBL2069865) Show SMILES FCCCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C24H29FN2O2/c25-11-3-16-28-22-9-7-20(8-10-22)18-26-12-4-13-27(15-14-26)19-23-17-21-5-1-2-6-24(21)29-23/h1-2,5-10,17H,3-4,11-16,18-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073602 (CHEMBL3408973) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCc2ccccc2)cc1 Show InChI InChI=1S/C28H32N4O2/c1-5-31(6-2)26(33)19-25-27(30-32-21(4)18-20(3)29-28(25)32)23-12-14-24(15-13-23)34-17-16-22-10-8-7-9-11-22/h7-15,18H,5-6,16-17,19H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50390206 (CHEMBL2069864) Show SMILES CCCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C24H30N2O2/c1-2-16-27-22-10-8-20(9-11-22)18-25-12-5-13-26(15-14-25)19-23-17-21-6-3-4-7-24(21)28-23/h3-4,6-11,17H,2,5,12-16,18-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50324100 (CHEMBL1214830 | N-((Benzofuran-2-yl)methyl)-N'-(4'...) Show SMILES COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C21H24N2O2/c1-24-19-8-6-17(7-9-19)15-22-10-12-23(13-11-22)16-20-14-18-4-2-3-5-21(18)25-20/h2-9,14H,10-13,15-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50324097 (CHEMBL1214831 | N-(Benzofuran-2-ylmethyl)-N'-(4'-e...) Show SMILES CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C22H26N2O2/c1-2-25-20-9-7-18(8-10-20)16-23-11-13-24(14-12-23)17-21-15-19-5-3-4-6-22(19)26-21/h3-10,15H,2,11-14,16-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50390204 (CHEMBL2069862) Show SMILES CCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C23H28N2O2/c1-2-26-21-10-8-19(9-11-21)17-24-12-5-13-25(15-14-24)18-22-16-20-6-3-4-7-23(20)27-22/h3-4,6-11,16H,2,5,12-15,17-18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.194	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50122293 (CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...) Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human TSPO				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50589230 (CHEMBL5181634) Show SMILES CCCc1cc2c(nc(OCCF)nc2s1)N1CCn2c(C1)nnc2C(F)(F)F Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128837 BindingDB Entry DOI: 10.7270/Q2765K8C
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073596 (CHEMBL3408967) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCc2ccccc2F)cc1 Show InChI InChI=1S/C27H29FN4O2/c1-5-31(6-2)25(33)16-23-26(30-32-19(4)15-18(3)29-27(23)32)20-11-13-22(14-12-20)34-17-21-9-7-8-10-24(21)28/h7-15H,5-6,16-17H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50350912 (CHEMBL1817978) Show SMILES COc1ccccc1CN(C(C)=O)c1cnc(F)cc1Oc1ccccc1 Show InChI InChI=1S/C21H19FN2O3/c1-15(25)24(14-16-8-6-7-11-19(16)26-2)18-13-23-21(22)12-20(18)27-17-9-4-3-5-10-17/h3-13H,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA, I�BM Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membrane homogenate				Bioorg Med Chem Lett 21: 4819-22 (2011) Article DOI: 10.1016/j.bmcl.2011.06.048 BindingDB Entry DOI: 10.7270/Q200032R
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM98172 (US8492379, 28) Show SMILES CCN(CC)C(=O)Cc1c(nc2c(C)cc(C)nn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H23ClN4O/c1-5-24(6-2)18(26)12-17-19(15-7-9-16(21)10-8-15)22-20-13(3)11-14(4)23-25(17)20/h7-11H,5-6,12H2,1-4H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney US Patent					Assay Description In vitro binding activity of TSPO.				US Patent US8492379 (2013) BindingDB Entry DOI: 10.7270/Q25T3J40
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM98171 (US8492379, 27) Show SMILES CCN(CC)C(=O)Cc1c(nc2c(C)cc(C)nn12)-c1ccc(C)cc1 Show InChI InChI=1S/C21H26N4O/c1-6-24(7-2)19(26)13-18-20(17-10-8-14(3)9-11-17)22-21-15(4)12-16(5)23-25(18)21/h8-12H,6-7,13H2,1-5H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney US Patent					Assay Description In vitro binding activity of TSPO.				US Patent US8492379 (2013) BindingDB Entry DOI: 10.7270/Q25T3J40
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073597 (CHEMBL3408968) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCc2cccc(F)c2)cc1 Show InChI InChI=1S/C27H29FN4O2/c1-5-31(6-2)25(33)16-24-26(30-32-19(4)14-18(3)29-27(24)32)21-10-12-23(13-11-21)34-17-20-8-7-9-22(28)15-20/h7-15H,5-6,16-17H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50178936 (2-(2-((dimethylamino)methyl)phenoxy)-5-methylbenze...) Show SMILES CN(C)Cc1ccccc1Oc1ccc(C)cc1N Show InChI InChI=1S/C16H20N2O/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT				Bioorg Med Chem Lett 16: 1297-300 (2006) Article DOI: 10.1016/j.bmcl.2005.11.066 BindingDB Entry DOI: 10.7270/Q2Z037R6
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50390203 (CHEMBL2069861) Show SMILES COc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C22H26N2O2/c1-25-20-9-7-18(8-10-20)16-23-11-4-12-24(14-13-23)17-21-15-19-5-2-3-6-22(19)26-21/h2-3,5-10,15H,4,11-14,16-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50334158 (1'-benzyl-3-(2-fluoroethyl)-3H-spiro[[2]benzofuran...) Show SMILES FCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C21H24FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to sigma 1 receptor by radioligand displacement assay				Bioorg Med Chem Lett 21: 6820-3 (2011) Article DOI: 10.1016/j.bmcl.2011.09.028 BindingDB Entry DOI: 10.7270/Q27S7P6B
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073600 (CHEMBL3408971) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C28H29F3N4O2/c1-5-34(6-2)25(36)16-24-26(33-35-19(4)14-18(3)32-27(24)35)21-10-12-23(13-11-21)37-17-20-8-7-9-22(15-20)28(29,30)31/h7-15H,5-6,16-17H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50229594 (CHEMBL253597 | N-(2-methoxybenzyl)-N-(4-phenoxypyr...) Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1 Show InChI InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of rat TSPO				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073598 (CHEMBL3408969) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C27H29FN4O2/c1-5-31(6-2)25(33)16-24-26(30-32-19(4)15-18(3)29-27(24)32)21-9-13-23(14-10-21)34-17-20-7-11-22(28)12-8-20/h7-15H,5-6,16-17H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50205990 (CHEMBL395429 | OXYTOCIN) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Agonist activity at human oxytocin receptor expressed in HEK293 cells assessed as increase in IP1 accumulation preincubated for 1 hr followed by addi...				Eur J Med Chem 108: 730-40 (2016) Article DOI: 10.1016/j.ejmech.2015.11.050 BindingDB Entry DOI: 10.7270/Q2XW4MNF
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50303527 ((2,2,3,3-Tetramethylcyclopropyl)(1-(4,4,4-trifluor...) Show SMILES CC1(C)C(C(=O)c2cn(CCCC(F)(F)F)c3ccccc23)C1(C)C Show InChI InChI=1S/C20H24F3NO/c1-18(2)17(19(18,3)4)16(25)14-12-24(11-7-10-20(21,22)23)15-9-6-5-8-13(14)15/h5-6,8-9,12,17H,7,10-11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00969 BindingDB Entry DOI: 10.7270/Q2K35ZSQ
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073591 (CHEMBL3408960) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC2CCC2)cc1 Show InChI InChI=1S/C24H30N4O2/c1-5-27(6-2)22(29)15-21-23(26-28-17(4)14-16(3)25-24(21)28)18-10-12-20(13-11-18)30-19-8-7-9-19/h10-14,19H,5-9,15H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50073588 (CHEMBL3408974) Show SMILES CCN(CC)C(=O)[C@H]1CCCc2c1c1ccccc1n2CCF |r| Show InChI InChI=1S/C19H25FN2O/c1-3-21(4-2)19(23)15-9-7-11-17-18(15)14-8-5-6-10-16(14)22(17)13-12-20/h5-6,8,10,15H,3-4,7,9,11-13H2,1-2H3/t15-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of TSPO (unknown origin)				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenate				Bioorg Med Chem Lett 21: 3622-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.098 BindingDB Entry DOI: 10.7270/Q2ZS2WTH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Translocator protein (Rattus norvegicus (rat))	BDBM50185957 (CHEMBL205767 | N-(2-isopropoxybenzyl)-N-(4-chloro-...) Show SMILES CC(C)Oc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C24H24ClNO3/c1-17(2)28-23-12-8-7-9-19(23)16-26(18(3)27)22-14-13-20(25)15-24(22)29-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brain and Mind Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat cortex				J Med Chem 52: 581-92 (2009) Article DOI: 10.1021/jm8011678 BindingDB Entry DOI: 10.7270/Q2222VP0
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM98173 (US8492379, 29) Show SMILES CCN(CC)C(=O)Cc1c(nc2c(C)cc(C)nn12)-c1ccc(Br)cc1 Show InChI InChI=1S/C20H23BrN4O/c1-5-24(6-2)18(26)12-17-19(15-7-9-16(21)10-8-15)22-20-13(3)11-14(4)23-25(17)20/h7-11H,5-6,12H2,1-4H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney US Patent					Assay Description In vitro binding activity of TSPO.				US Patent US8492379 (2013) BindingDB Entry DOI: 10.7270/Q25T3J40
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073595 (CHEMBL3408966) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-5-30(6-2)25(32)17-24-26(29-31-20(4)16-19(3)28-27(24)31)22-12-14-23(15-13-22)33-18-21-10-8-7-9-11-21/h7-16H,5-6,17-18H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2 receptor expressed in HEK cells				Bioorg Med Chem Lett 21: 3622-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.098 BindingDB Entry DOI: 10.7270/Q2ZS2WTH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1 Show InChI InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenate				Bioorg Med Chem Lett 21: 3622-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.098 BindingDB Entry DOI: 10.7270/Q2ZS2WTH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Translocator protein (Rattus norvegicus (rat))	BDBM50327234 (2-[2-(4'-Butoxy1phenyl)-5,7-dimethylpyrazolo[1,5-a...) Show SMILES CCCCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC Show InChI InChI=1S/C24H32N4O2/c1-6-9-14-30-20-12-10-19(11-13-20)23-21(16-22(29)27(7-2)8-3)24-25-17(4)15-18(5)28(24)26-23/h10-13,15H,6-9,14,16H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney				Bioorg Med Chem Lett 20: 5799-802 (2010) Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50350912 (CHEMBL1817978) Show SMILES COc1ccccc1CN(C(C)=O)c1cnc(F)cc1Oc1ccccc1 Show InChI InChI=1S/C21H19FN2O3/c1-15(25)24(14-16-8-6-7-11-19(16)26-2)18-13-23-21(22)12-20(18)27-17-9-4-3-5-10-17/h3-13H,14H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA, I�BM Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in human HEK293 mitochondrial fraction				Bioorg Med Chem Lett 21: 4819-22 (2011) Article DOI: 10.1016/j.bmcl.2011.06.048 BindingDB Entry DOI: 10.7270/Q200032R
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50334458 (CHEMBL1643901 | N-(3-Fluorobenzyl)-N-methyl-8-amin...) Show SMILES CN(Cc1cccc(F)c1)[C@@H]1C2C3CC4C5CC(C2C35)C14 |r,THB:11:18:16:14.20,10:20:18.19:16,12:19:16:14.20,13:14:18.19:16| Show InChI InChI=1S/C19H22FN/c1-21(8-9-3-2-4-10(20)5-9)19-16-12-7-13-15-11(12)6-14(16)17(15)18(13)19/h2-5,11-19H,6-8H2,1H3/t11?,12?,13?,14?,15?,16?,17?,18?,19-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 form human DAT expressed in HEK cell membranes				Bioorg Med Chem Lett 21: 38-41 (2010) Article DOI: 10.1016/j.bmcl.2010.11.075 BindingDB Entry DOI: 10.7270/Q20K28VR
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50374598 (CHEMBL272603 | US9604926, Compound CM-156 | US9724...) Show SMILES S=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C21H31N3S2/c25-21-24(19-10-4-5-11-20(19)26-21)13-7-6-12-22-14-16-23(17-15-22)18-8-2-1-3-9-18/h4-5,10-11,18H,1-3,6-9,12-17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate after 120 mins				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50327236 (2-[5,7-Dimethyl-2-(4'-propoxyphenyl)pyrazolo[1,5-a...) Show SMILES CCCOc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(CC)CC Show InChI InChI=1S/C23H30N4O2/c1-6-13-29-19-11-9-18(10-12-19)22-20(15-21(28)26(7-2)8-3)23-24-16(4)14-17(5)27(23)25-22/h9-12,14H,6-8,13,15H2,1-5H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat kidney				Bioorg Med Chem Lett 20: 5799-802 (2010) Article DOI: 10.1016/j.bmcl.2010.07.135 BindingDB Entry DOI: 10.7270/Q2WS8V6P
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073599 (CHEMBL3408970) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCc2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C28H29F3N4O2/c1-5-34(6-2)25(36)16-23-26(33-35-19(4)15-18(3)32-27(23)35)20-11-13-22(14-12-20)37-17-21-9-7-8-10-24(21)28(29,30)31/h7-15H,5-6,16-17H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50068454 (1-[2-(3-Methoxy-phenyl)-ethyl]-4-(3-phenyl-propyl)...) Show SMILES COc1cccc(CCN2CCN(CCCc3ccccc3)CC2)c1 Show InChI InChI=1S/C22H30N2O/c1-25-22-11-5-9-21(19-22)12-14-24-17-15-23(16-18-24)13-6-10-20-7-3-2-4-8-20/h2-5,7-9,11,19H,6,10,12-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Binding affinity to sigma1 receptor				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073603 (CHEMBL3408963) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCC2CCC2)cc1 Show InChI InChI=1S/C25H32N4O2/c1-5-28(6-2)23(30)15-22-24(27-29-18(4)14-17(3)26-25(22)29)20-10-12-21(13-11-20)31-16-19-8-7-9-19/h10-14,19H,5-9,15-16H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50008984 (4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...) Show SMILES CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00969 BindingDB Entry DOI: 10.7270/Q2K35ZSQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Translocator protein (Rattus norvegicus (rat))	BDBM50073592 (CHEMBL3408961) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC2CCCC2)cc1 Show InChI InChI=1S/C25H32N4O2/c1-5-28(6-2)23(30)16-22-24(27-29-18(4)15-17(3)26-25(22)29)19-11-13-21(14-12-19)31-20-9-7-8-10-20/h11-15,20H,5-10,16H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM98176 (US8492379, 53) Show SMILES CCN(CC)C(=O)Cc1c(nc2c(C)cc(C)nn12)-c1ccc(OCCF)cc1 Show InChI InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)24-22-15(3)13-16(4)25-27(19)22/h7-10,13H,5-6,11-12,14H2,1-4H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney US Patent					Assay Description In vitro binding activity of TSPO.				US Patent US8492379 (2013) BindingDB Entry DOI: 10.7270/Q25T3J40
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073601 (CHEMBL3408972) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C28H29F3N4O2/c1-5-34(6-2)25(36)16-24-26(33-35-19(4)15-18(3)32-27(24)35)21-9-13-23(14-10-21)37-17-20-7-11-22(12-8-20)28(29,30)31/h7-15H,5-6,16-17H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50324086 (CHEMBL1214893 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...) Show SMILES FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 Show InChI InChI=1S/C23H27FN2O2/c24-10-3-15-27-21-8-6-19(7-9-21)17-25-11-13-26(14-12-25)18-22-16-20-4-1-2-5-23(20)28-22/h1-2,4-9,16H,3,10-15,17-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate				Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50110788 (2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT				Bioorg Med Chem Lett 16: 1297-300 (2006) Article DOI: 10.1016/j.bmcl.2005.11.066 BindingDB Entry DOI: 10.7270/Q2Z037R6
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Translocator protein (Rattus norvegicus (rat))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA, I�BM Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in rat heart membrane homogenate				Bioorg Med Chem Lett 21: 4819-22 (2011) Article DOI: 10.1016/j.bmcl.2011.06.048 BindingDB Entry DOI: 10.7270/Q200032R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Translocator protein (Rattus norvegicus (rat))	BDBM50073604 (CHEMBL3408964) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCC2CCCC2)cc1 Show InChI InChI=1S/C26H34N4O2/c1-5-29(6-2)24(31)16-23-25(28-30-19(4)15-18(3)27-26(23)30)21-11-13-22(14-12-21)32-17-20-9-7-8-10-20/h11-15,20H,5-10,16-17H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50124908 (CHEMBL159560 | N-(2-Methoxy-benzyl)-4-trifluoromet...) Show SMILES COc1ccccc1CN=C(N)c1ccc(OC(F)(F)F)cc1 |w:9.9| Show InChI InChI=1S/C16H15F3N2O2/c1-22-14-5-3-2-4-12(14)10-21-15(20)11-6-8-13(9-7-11)23-16(17,18)19/h2-9H,10H2,1H3,(H2,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry				Bioorg Med Chem Lett 24: 828-30 (2014) Article DOI: 10.1016/j.bmcl.2013.12.087 BindingDB Entry DOI: 10.7270/Q2XK8H20
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073589 (CHEMBL3408958) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC(C)C)cc1 Show InChI InChI=1S/C23H30N4O2/c1-7-26(8-2)21(28)14-20-22(18-9-11-19(12-10-18)29-15(3)4)25-27-17(6)13-16(5)24-23(20)27/h9-13,15H,7-8,14H2,1-6H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50073590 (CHEMBL3408959) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCC(C)C)cc1 Show InChI InChI=1S/C24H32N4O2/c1-7-27(8-2)22(29)14-21-23(26-28-18(6)13-17(5)25-24(21)28)19-9-11-20(12-10-19)30-15-16(3)4/h9-13,16H,7-8,14-15H2,1-6H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Wistar rat kidney mitochondrial fractions incubated for 90 mins by liquid scintillation counting method				Eur J Med Chem 93: 392-400 (2015) Article DOI: 10.1016/j.ejmech.2015.02.004 BindingDB Entry DOI: 10.7270/Q2G73GF4
					More data for this Ligand-Target Pair

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