Compile Data Set for Download or QSAR

Found 532 hits with Last Name = 'reekie' and Initial = 't'   

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
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
Translocator protein (Homo sapiens (Human))	BDBM50509027 (CHEMBL4459176) Show SMILES COc1ccc(cc1)-c1ccc2n(CC(=O)N(C)Cc3cccc(OC)c3)c3ccccc3c2c1 Show InChI InChI=1S/C30H28N2O3/c1-31(19-21-7-6-8-25(17-21)35-3)30(33)20-32-28-10-5-4-9-26(28)27-18-23(13-16-29(27)32)22-11-14-24(34-2)15-12-22/h4-18H,19-20H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Macquarie University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cells after 90 mins by scintillation counting method				J Med Chem 62: 8235-8248 (2019) Article DOI: 10.1021/acs.jmedchem.9b00980 BindingDB Entry DOI: 10.7270/Q2SN0D8V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50319936 ((1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-di...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C16H18N4/c1-19-10-14-9-13(19)11-20(14)16-8-7-15(17-18-16)12-5-3-2-4-6-12/h2-8,13-14H,9-11H2,1H3/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	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]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting				Eur J Med Chem 95: 277-301 (2015) Article DOI: 10.1016/j.ejmech.2015.03.025 BindingDB Entry DOI: 10.7270/Q2DN46RR
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50556264 (CHEMBL4789235) Show SMILES CCN(Cc1ccccc1)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112725 BindingDB Entry DOI: 10.7270/Q2VM4GZF
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50509027 (CHEMBL4459176) Show SMILES COc1ccc(cc1)-c1ccc2n(CC(=O)N(C)Cc3cccc(OC)c3)c3ccccc3c2c1 Show InChI InChI=1S/C30H28N2O3/c1-31(19-21-7-6-8-25(17-21)35-3)30(33)20-32-28-10-5-4-9-26(28)27-18-23(13-16-29(27)32)22-11-14-24(34-2)15-12-22/h4-18H,19-20H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Macquarie University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method				J Med Chem 62: 8235-8248 (2019) Article DOI: 10.1021/acs.jmedchem.9b00980 BindingDB Entry DOI: 10.7270/Q2SN0D8V
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50556263 (CHEMBL4742003) Show SMILES COc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(C)Cc1ccccc1 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112725 BindingDB Entry DOI: 10.7270/Q2VM4GZF
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50054139 ((R)1-(2-Chloro-phenyl)-isoquinoline-3-carboxylic a...) Show SMILES CC[C@@H](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/t14-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Macquarie University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cells after 90 mins by scintillation counting method				J Med Chem 62: 8235-8248 (2019) Article DOI: 10.1021/acs.jmedchem.9b00980 BindingDB Entry DOI: 10.7270/Q2SN0D8V
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50556271 (CHEMBL4742171) Show SMILES CCN(Cc1ccccc1)C(=O)CN1c2ccccc2NC(=O)c2ccccc12 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112725 BindingDB Entry DOI: 10.7270/Q2VM4GZF
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50327238 (2-[2-(4'-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a...) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)19(26)13-18-20(16-8-10-17(27-5)11-9-16)23-25-15(4)12-14(3)22-21(18)25/h8-12H,6-7,13H2,1-5H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method				Citation and Details Article DOI: 10.1039/c9md00580c BindingDB Entry DOI: 10.7270/Q2FJ2MF6
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50327238 (2-[2-(4'-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a...) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)19(26)13-18-20(16-8-10-17(27-5)11-9-16)23-25-15(4)12-14(3)22-21(18)25/h8-12H,6-7,13H2,1-5H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112725 BindingDB Entry DOI: 10.7270/Q2VM4GZF
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50509027 (CHEMBL4459176) Show SMILES COc1ccc(cc1)-c1ccc2n(CC(=O)N(C)Cc3cccc(OC)c3)c3ccccc3c2c1 Show InChI InChI=1S/C30H28N2O3/c1-31(19-21-7-6-8-25(17-21)35-3)30(33)20-32-28-10-5-4-9-26(28)27-18-23(13-16-29(27)32)22-11-14-24(34-2)15-12-22/h4-18H,19-20H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Macquarie University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cells after 90 mins by scintillation counting method				J Med Chem 62: 8235-8248 (2019) Article DOI: 10.1021/acs.jmedchem.9b00980 BindingDB Entry DOI: 10.7270/Q2SN0D8V
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50054139 ((R)1-(2-Chloro-phenyl)-isoquinoline-3-carboxylic a...) Show SMILES CC[C@@H](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/t14-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Macquarie University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method				J Med Chem 62: 8235-8248 (2019) Article DOI: 10.1021/acs.jmedchem.9b00980 BindingDB Entry DOI: 10.7270/Q2SN0D8V
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50509027 (CHEMBL4459176) Show SMILES COc1ccc(cc1)-c1ccc2n(CC(=O)N(C)Cc3cccc(OC)c3)c3ccccc3c2c1 Show InChI InChI=1S/C30H28N2O3/c1-31(19-21-7-6-8-25(17-21)35-3)30(33)20-32-28-10-5-4-9-26(28)27-18-23(13-16-29(27)32)22-11-14-24(34-2)15-12-22/h4-18H,19-20H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Macquarie University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cell membranes after 90 mins by scintillation counting method				J Med Chem 62: 8235-8248 (2019) Article DOI: 10.1021/acs.jmedchem.9b00980 BindingDB Entry DOI: 10.7270/Q2SN0D8V
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139178 (CHEMBL3763342) Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12 Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	27	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]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50556263 (CHEMBL4742003) Show SMILES COc1ccc(cc1)-c1nn2c(C)cc(C)nc2c1CC(=O)N(C)Cc1ccccc1 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-PK11195 from TSPO A147T mutant (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 9...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112725 BindingDB Entry DOI: 10.7270/Q2VM4GZF
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139178 (CHEMBL3763342) Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12 Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	27	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
Translocator protein (Homo sapiens (Human))	BDBM50054139 ((R)1-(2-Chloro-phenyl)-isoquinoline-3-carboxylic a...) Show SMILES CC[C@@H](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/t14-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Macquarie University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cell membranes after 90 mins by scintillation counting method				J Med Chem 62: 8235-8248 (2019) Article DOI: 10.1021/acs.jmedchem.9b00980 BindingDB Entry DOI: 10.7270/Q2SN0D8V
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method				Citation and Details Article DOI: 10.1039/c9md00580c BindingDB Entry DOI: 10.7270/Q2FJ2MF6
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50509034 (CHEMBL4173118) Show SMILES CCN(CC)C(=O)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C18H20N2O/c1-3-19(4-2)18(21)13-20-16-11-7-5-9-14(16)15-10-6-8-12-17(15)20/h5-12H,3-4,13H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Macquarie University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method				J Med Chem 62: 8235-8248 (2019) Article DOI: 10.1021/acs.jmedchem.9b00980 BindingDB Entry DOI: 10.7270/Q2SN0D8V
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50509034 (CHEMBL4173118) Show SMILES CCN(CC)C(=O)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C18H20N2O/c1-3-19(4-2)18(21)13-20-16-11-7-5-9-14(16)15-10-6-8-12-17(15)20/h5-12H,3-4,13H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112725 BindingDB Entry DOI: 10.7270/Q2VM4GZF
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50054139 ((R)1-(2-Chloro-phenyl)-isoquinoline-3-carboxylic a...) Show SMILES CC[C@@H](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/t14-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Macquarie University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cells after 90 mins by scintillation counting method				J Med Chem 62: 8235-8248 (2019) Article DOI: 10.1021/acs.jmedchem.9b00980 BindingDB Entry DOI: 10.7270/Q2SN0D8V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50082084 (CHEMBL3422597) Show SMILES [H][C@]12CN(c3ccc(cc3)-c3ccccc3)[C@]([H])(CN1C)C2 |r| Show InChI InChI=1S/C18H20N2/c1-19-12-18-11-17(19)13-20(18)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17-18H,11-13H2,1H3/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34	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]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting				Eur J Med Chem 95: 277-301 (2015) Article DOI: 10.1016/j.ejmech.2015.03.025 BindingDB Entry DOI: 10.7270/Q2DN46RR
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cells after 90 mins by scintillation counting method				Citation and Details Article DOI: 10.1039/c9md00580c BindingDB Entry DOI: 10.7270/Q2FJ2MF6
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50556267 (CHEMBL4745926) Show SMILES CCN(Cc1ccccc1)C(=O)CN1Cc2cnn(C)c2Nc2ccccc12 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112725 BindingDB Entry DOI: 10.7270/Q2VM4GZF
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50556266 (CHEMBL4758934) Show SMILES CN(Cc1ccccc1)C(=O)CN1Cc2cnn(C)c2Nc2ccccc12 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112725 BindingDB Entry DOI: 10.7270/Q2VM4GZF
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50509039 (CHEMBL4447335) Show SMILES CN(Cc1ccccc1)C(=O)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C22H20N2O/c1-23(15-17-9-3-2-4-10-17)22(25)16-24-20-13-7-5-11-18(20)19-12-6-8-14-21(19)24/h2-14H,15-16H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112725 BindingDB Entry DOI: 10.7270/Q2VM4GZF
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50509039 (CHEMBL4447335) Show SMILES CN(Cc1ccccc1)C(=O)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C22H20N2O/c1-23(15-17-9-3-2-4-10-17)22(25)16-24-20-13-7-5-11-18(20)19-12-6-8-14-21(19)24/h2-14H,15-16H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Macquarie University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method				J Med Chem 62: 8235-8248 (2019) Article DOI: 10.1021/acs.jmedchem.9b00980 BindingDB Entry DOI: 10.7270/Q2SN0D8V
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50139178 (CHEMBL3763342) Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12 Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	58	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]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate-reader method				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
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139179 (CHEMBL3763951) Show SMILES COc1cc(CN2CCN(CC2)C(=O)NCc2ccc(cc2C)C(=O)N2Cc3cnn(C)c3Nc3ccccc23)cc(OC)c1 Show InChI InChI=1S/C34H39N7O4/c1-23-15-25(33(42)41-22-27-20-36-38(2)32(27)37-30-7-5-6-8-31(30)41)9-10-26(23)19-35-34(43)40-13-11-39(12-14-40)21-24-16-28(44-3)18-29(17-24)45-4/h5-10,15-18,20,37H,11-14,19,21-22H2,1-4H3,(H,35,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	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
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139179 (CHEMBL3763951) Show SMILES COc1cc(CN2CCN(CC2)C(=O)NCc2ccc(cc2C)C(=O)N2Cc3cnn(C)c3Nc3ccccc23)cc(OC)c1 Show InChI InChI=1S/C34H39N7O4/c1-23-15-25(33(42)41-22-27-20-36-38(2)32(27)37-30-7-5-6-8-31(30)41)9-10-26(23)19-35-34(43)40-13-11-39(12-14-40)21-24-16-28(44-3)18-29(17-24)45-4/h5-10,15-18,20,37H,11-14,19,21-22H2,1-4H3,(H,35,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	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]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139373 (CHEMBL3763823) Show SMILES Cn1ncc2CN(C(=O)CCCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(39)11-5-3-2-4-8-12-34-13-15-35(16-14-34)21-23-17-25(37)19-26(38)18-23/h6-7,9-10,17-20,32,37-38H,2-5,8,11-16,21-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	64	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]-vasopressin from human vasopressin V1a receptor expressed in HEK293 cell membranes after 90 mins by radioligand binding assay				Eur J Med Chem 143: 1644-1656 (2018) Article DOI: 10.1016/j.ejmech.2017.10.059 BindingDB Entry DOI: 10.7270/Q2MS3W92
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139373 (CHEMBL3763823) Show SMILES Cn1ncc2CN(C(=O)CCCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C30H40N6O3/c1-33-30-24(20-31-33)22-36(28-10-7-6-9-27(28)32-30)29(39)11-5-3-2-4-8-12-34-13-15-35(16-14-34)21-23-17-25(37)19-26(38)18-23/h6-7,9-10,17-20,32,37-38H,2-5,8,11-16,21-22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	64	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 Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretrea...				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
Translocator protein (Homo sapiens (Human))	BDBM50509028 (CHEMBL4161842) Show SMILES CCN(Cc1ccccc1)C(=O)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C23H22N2O/c1-2-24(16-18-10-4-3-5-11-18)23(26)17-25-21-14-8-6-12-19(21)20-13-7-9-15-22(20)25/h3-15H,2,16-17H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Macquarie University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method				J Med Chem 62: 8235-8248 (2019) Article DOI: 10.1021/acs.jmedchem.9b00980 BindingDB Entry DOI: 10.7270/Q2SN0D8V
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50556270 (CHEMBL4743573) Show SMILES CN(Cc1ccccc1)C(=O)CN1c2ccccc2NC(=O)c2ccccc12 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112725 BindingDB Entry DOI: 10.7270/Q2VM4GZF
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50556264 (CHEMBL4789235) Show SMILES CCN(Cc1ccccc1)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-PK11195 from TSPO A147T mutant (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 9...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112725 BindingDB Entry DOI: 10.7270/Q2VM4GZF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50082081 (CHEMBL3422581) Show SMILES Fc1ncccc1-c1ccc(NC(=O)CCCCN2CCOCC2)cc1 Show InChI InChI=1S/C20H24FN3O2/c21-20-18(4-3-10-22-20)16-6-8-17(9-7-16)23-19(25)5-1-2-11-24-12-14-26-15-13-24/h3-4,6-10H,1-2,5,11-15H2,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	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]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting				Eur J Med Chem 95: 277-301 (2015) Article DOI: 10.1016/j.ejmech.2015.03.025 BindingDB Entry DOI: 10.7270/Q2DN46RR
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50509028 (CHEMBL4161842) Show SMILES CCN(Cc1ccccc1)C(=O)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C23H22N2O/c1-2-24(16-18-10-4-3-5-11-18)23(26)17-25-21-14-8-6-12-19(21)20-13-7-9-15-22(20)25/h3-15H,2,16-17H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-PK11195 from wild type TSPO (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 90 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112725 BindingDB Entry DOI: 10.7270/Q2VM4GZF
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50509020 (CHEMBL4439049) Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C24H24N2O2/c1-3-25(16-18-9-8-10-19(15-18)28-2)24(27)17-26-22-13-6-4-11-20(22)21-12-5-7-14-23(21)26/h4-15H,3,16-17H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Macquarie University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method				J Med Chem 62: 8235-8248 (2019) Article DOI: 10.1021/acs.jmedchem.9b00980 BindingDB Entry DOI: 10.7270/Q2SN0D8V
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50327238 (2-[2-(4'-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a...) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)19(26)13-18-20(16-8-10-17(27-5)11-9-16)23-25-15(4)12-14(3)22-21(18)25/h8-12H,6-7,13H2,1-5H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cells after 90 mins by scintillation counting method				Citation and Details Article DOI: 10.1039/c9md00580c BindingDB Entry DOI: 10.7270/Q2FJ2MF6
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50327238 (2-[2-(4'-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a...) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)19(26)13-18-20(16-8-10-17(27-5)11-9-16)23-25-15(4)12-14(3)22-21(18)25/h8-12H,6-7,13H2,1-5H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-PK11195 from TSPO A147T mutant (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 9...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112725 BindingDB Entry DOI: 10.7270/Q2VM4GZF
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50556271 (CHEMBL4742171) Show SMILES CCN(Cc1ccccc1)C(=O)CN1c2ccccc2NC(=O)c2ccccc12 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-PK11195 from TSPO A147T mutant (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 9...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112725 BindingDB Entry DOI: 10.7270/Q2VM4GZF
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50509020 (CHEMBL4439049) Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C24H24N2O2/c1-3-25(16-18-9-8-10-19(15-18)28-2)24(27)17-26-22-13-6-4-11-20(22)21-12-5-7-14-23(21)26/h4-15H,3,16-17H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Macquarie University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cell membranes after 90 mins by scintillation counting method				J Med Chem 62: 8235-8248 (2019) Article DOI: 10.1021/acs.jmedchem.9b00980 BindingDB Entry DOI: 10.7270/Q2SN0D8V
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139178 (CHEMBL3763342) Show SMILES Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12 Show InChI InChI=1S/C32H35N7O4/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	113	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]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cells after 90 mins by microbeta 2 microplate-reader method				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
Translocator protein (Homo sapiens (Human))	BDBM50131400 (CHEMBL3634876) Show SMILES CCN(CC)C(=O)Cn1c(cc2c(C)cc(C)cc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C23H28N2O2/c1-6-24(7-2)23(26)15-25-21(18-8-10-19(27-5)11-9-18)14-20-17(4)12-16(3)13-22(20)25/h8-14H,6-7,15H2,1-5H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method				Citation and Details Article DOI: 10.1039/c9md00580c BindingDB Entry DOI: 10.7270/Q2FJ2MF6
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50139183 (CHEMBL3763217) Show SMILES Cn1ncc2CN(C(=O)CCCCCCN3CCN(Cc4cc(O)cc(O)c4)CC3)c3ccccc3Nc12 Show InChI InChI=1S/C29H38N6O3/c1-32-29-23(19-30-32)21-35(27-9-6-5-8-26(27)31-29)28(38)10-4-2-3-7-11-33-12-14-34(15-13-33)20-22-16-24(36)18-25(37)17-22/h5-6,8-9,16-19,31,36-37H,2-4,7,10-15,20-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	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 Antagonist activity at human vasopressin 1a receptor expressed in HEK293 cells assessed as inhibition of vasopressin induced IP1 accumulation pretrea...				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
Translocator protein (Homo sapiens (Human))	BDBM50509039 (CHEMBL4447335) Show SMILES CN(Cc1ccccc1)C(=O)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C22H20N2O/c1-23(15-17-9-3-2-4-10-17)22(25)16-24-20-13-7-5-11-18(20)19-12-6-8-14-21(19)24/h2-14H,15-16H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Macquarie University Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cell membranes after 90 mins by scintillation counting method				J Med Chem 62: 8235-8248 (2019) Article DOI: 10.1021/acs.jmedchem.9b00980 BindingDB Entry DOI: 10.7270/Q2SN0D8V
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50509039 (CHEMBL4447335) Show SMILES CN(Cc1ccccc1)C(=O)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C22H20N2O/c1-23(15-17-9-3-2-4-10-17)22(25)16-24-20-13-7-5-11-18(20)19-12-6-8-14-21(19)24/h2-14H,15-16H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-PK11195 from TSPO A147T mutant (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 9...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112725 BindingDB Entry DOI: 10.7270/Q2VM4GZF
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50082083 (CHEMBL3422596) Show SMILES [H][C@]12CN(c3ccc(cc3)-c3cccnc3)[C@]([H])(CN1C)C2 |r| Show InChI InChI=1S/C17H19N3/c1-19-11-17-9-16(19)12-20(17)15-6-4-13(5-7-15)14-3-2-8-18-10-14/h2-8,10,16-17H,9,11-12H2,1H3/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	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]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting				Eur J Med Chem 95: 277-301 (2015) Article DOI: 10.1016/j.ejmech.2015.03.025 BindingDB Entry DOI: 10.7270/Q2DN46RR
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50556270 (CHEMBL4743573) Show SMILES CN(Cc1ccccc1)C(=O)CN1c2ccccc2NC(=O)c2ccccc12 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	159	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-PK11195 from TSPO A147T mutant (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 9...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112725 BindingDB Entry DOI: 10.7270/Q2VM4GZF
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50509034 (CHEMBL4173118) Show SMILES CCN(CC)C(=O)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C18H20N2O/c1-3-19(4-2)18(21)13-20-16-11-7-5-9-14(16)15-10-6-8-12-17(15)20/h5-12H,3-4,13H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	177	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-PK11195 from TSPO A147T mutant (unknown origin) expressed in human HEK293T cells assessed as inhibitory constant incubated for 9...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112725 BindingDB Entry DOI: 10.7270/Q2VM4GZF
					More data for this Ligand-Target Pair

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