Compile Data Set for Download or QSAR

Found 221 hits with Last Name = 'paolino' 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
Translocator protein (Rattus norvegicus (rat))	BDBM50409614 (CHEMBL5288131) Show SMILES OC(=O)C1CCN(CC1)C1CN(CCC2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C26H35Cl2N3O3/c27-22-4-3-20(13-23(22)28)26(8-5-24(32)31(17-26)14-18-1-2-18)9-12-29-15-21(16-29)30-10-6-19(7-11-30)25(33)34/h3-4,13,18-19,21H,1-2,5-12,14-17H2,(H,33,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50409613 (CHEMBL5275028) Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCC(=O)CC2)CCC(=O)N(CC2CC2)C1 Show InChI InChI=1S/C25H33Cl2N3O2/c26-22-4-3-19(13-23(22)27)25(8-5-24(32)30(17-25)14-18-1-2-18)9-12-28-15-20(16-28)29-10-6-21(31)7-11-29/h3-4,13,18,20H,1-2,5-12,14-17H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM22041 (2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...) Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Dihydrofolate reductase of Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair
Translocator protein (Homo sapiens (Human))	BDBM50363523 (CHEMBL1944785) Show SMILES CCN(CC)C(=O)[C@H]1CCCc2c1c1c(OC)cccc1n2CCF |r| Show InChI InChI=1S/C20H27FN2O2/c1-4-22(5-2)20(24)14-8-6-9-15-18(14)19-16(23(15)13-12-21)10-7-11-17(19)25-3/h7,10-11,14H,4-6,8-9,12-13H2,1-3H3/t14-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Dihydrofolate reductase of Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50379007 (CHEMBL2011470) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCNC(=O)c2c(C)c(nc3ccccc23)N2CCN(C)CC2)c1C Show InChI InChI=1S/C39H52N8O2/c1-28-34(30-14-8-10-16-32(30)42-36(28)46-24-20-44(3)21-25-46)38(48)40-18-12-6-5-7-13-19-41-39(49)35-29(2)37(47-26-22-45(4)23-27-47)43-33-17-11-9-15-31(33)35/h8-11,14-17H,5-7,12-13,18-27H2,1-4H3,(H,40,48)(H,41,49)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50045880 (2-[5-Chloro-2-(4-chloro-phenyl)-1H-indol-3-yl]-N,N...) Show SMILES CCCN(CCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H24Cl2N2O/c1-3-11-26(12-4-2)21(27)14-19-18-13-17(24)9-10-20(18)25-22(19)15-5-7-16(23)8-6-15/h5-10,13,25H,3-4,11-12,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea				Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50166984 (3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCNc2c3CCCCc3nc3ccccc23)c1C Show InChI InChI=1S/C36H46N6O/c1-26-33(27-14-6-9-17-30(27)40-35(26)42-24-22-41(2)23-25-42)36(43)38-21-13-5-3-4-12-20-37-34-28-15-7-10-18-31(28)39-32-19-11-8-16-29(32)34/h6-7,9-10,14-15,17-18H,3-5,8,11-13,16,19-25H2,1-2H3,(H,37,39)(H,38,43)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50243007 (2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazo...) Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-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)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver				Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50379005 (CHEMBL2011586) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCNC(=O)c2c(C)c(nc3ccccc23)N2CCN(C)CC2)c1C Show InChI InChI=1S/C38H50N8O4/c1-27-33(29-9-5-7-11-31(29)41-35(27)45-19-15-43(3)16-20-45)37(47)39-13-23-49-25-26-50-24-14-40-38(48)34-28(2)36(46-21-17-44(4)18-22-46)42-32-12-8-6-10-30(32)34/h5-12H,13-26H2,1-4H3,(H,39,47)(H,40,48)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50379010 (CHEMBL2011588) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c2c(C)c(nc3ccccc23)N2CCN(C)CC2)c1C Show InChI InChI=1S/C52H78N8O11/c1-41-47(43-9-5-7-11-45(43)55-49(41)59-19-15-57(3)16-20-59)51(61)53-13-23-63-25-27-65-29-31-67-33-35-69-37-39-71-40-38-70-36-34-68-32-30-66-28-26-64-24-14-54-52(62)48-42(2)50(60-21-17-58(4)18-22-60)56-46-12-8-6-10-44(46)48/h5-12H,13-40H2,1-4H3,(H,53,61)(H,54,62)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50379018 (CHEMBL2011596) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCNC(=O)OC(C)(C)C)c1C Show InChI InChI=1S/C28H43N5O3/c1-21-24(22-13-9-10-14-23(22)31-25(21)33-19-17-32(5)18-20-33)26(34)29-15-11-7-6-8-12-16-30-27(35)36-28(2,3)4/h9-10,13-14H,6-8,11-12,15-20H2,1-5H3,(H,29,34)(H,30,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50056415 (2-piperidinopropyl 4-amino-5-chloro-2-methoxybenzo...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1 Show InChI InChI=1S/C16H23ClN2O3/c1-21-15-11-14(18)13(17)10-12(15)16(20)22-9-5-8-19-6-3-2-4-7-19/h10-11H,2-9,18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50388686 (CHEMBL74656) Show SMILES CO[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50379013 (CHEMBL2011591) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCNC(=O)NCC(O)=O)c1C Show InChI InChI=1S/C26H38N6O4/c1-19-23(20-10-6-7-11-21(20)30-24(19)32-16-14-31(2)15-17-32)25(35)27-12-8-4-3-5-9-13-28-26(36)29-18-22(33)34/h6-7,10-11H,3-5,8-9,12-18H2,1-2H3,(H,27,35)(H,33,34)(H2,28,29,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50379009 (CHEMBL2011587) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c2c(C)c(nc3ccccc23)N2CCN(C)CC2)c1C Show InChI InChI=1S/C48H70N8O9/c1-37-43(39-9-5-7-11-41(39)51-45(37)55-19-15-53(3)16-20-55)47(57)49-13-23-59-25-27-61-29-31-63-33-35-65-36-34-64-32-30-62-28-26-60-24-14-50-48(58)44-38(2)46(56-21-17-54(4)18-22-56)52-42-12-8-6-10-40(42)44/h5-12H,13-36H2,1-4H3,(H,49,57)(H,50,58)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50379006 (CHEMBL2011469) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCNC(=O)c2c(C)c(nc3ccccc23)N2CCN(C)CC2)c1C Show InChI InChI=1S/C38H50N8O2/c1-27-33(29-13-7-9-15-31(29)41-35(27)45-23-19-43(3)20-24-45)37(47)39-17-11-5-6-12-18-40-38(48)34-28(2)36(46-25-21-44(4)22-26-46)42-32-16-10-8-14-30(32)34/h7-10,13-16H,5-6,11-12,17-26H2,1-4H3,(H,39,47)(H,40,48)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50019529 (CHEMBL3291085) Show SMILES [K+].CC(C)n1c2sccc2c([O-])c(C(=O)NCCCN2CCCCC2)c1=O Show InChI InChI=1S/C19H27N3O3S.K/c1-13(2)22-18(25)15(16(23)14-7-12-26-19(14)22)17(24)20-8-6-11-21-9-4-3-5-10-21;/h7,12-13,23H,3-6,8-11H2,1-2H3,(H,20,24);/q;+1/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to 5HT4R (unknown origin)				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50019523 (CHEMBL3291078) Show SMILES COc1cc2C(=O)N(CCCN3CCCCC3)C(=O)c3cccc(n1)c23 Show InChI InChI=1S/C20H23N3O3/c1-26-17-13-15-18-14(7-5-8-16(18)21-17)19(24)23(20(15)25)12-6-11-22-9-3-2-4-10-22/h5,7-8,13H,2-4,6,9-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50019520 (CHEMBL3291075) Show SMILES COc1cc(C(=O)OCCCN2CCCCC2)c2ccccc2n1 Show InChI InChI=1S/C19H24N2O3/c1-23-18-14-16(15-8-3-4-9-17(15)20-18)19(22)24-13-7-12-21-10-5-2-6-11-21/h3-4,8-9,14H,2,5-7,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50379008 (CHEMBL2011471) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCCNC(=O)c2c(C)c(nc3ccccc23)N2CCN(C)CC2)c1C Show InChI InChI=1S/C40H54N8O2/c1-29-35(31-15-9-11-17-33(31)43-37(29)47-25-21-45(3)22-26-47)39(49)41-19-13-7-5-6-8-14-20-42-40(50)36-30(2)38(48-27-23-46(4)24-28-48)44-34-18-12-10-16-32(34)36/h9-12,15-18H,5-8,13-14,19-28H2,1-4H3,(H,41,49)(H,42,50)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50379012 (CHEMBL2011590) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)c1C Show InChI InChI=1S/C37H48N6O/c1-27-34(28-15-7-10-18-31(28)41-36(27)43-25-23-42(2)24-26-43)37(44)39-22-14-6-4-3-5-13-21-38-35-29-16-8-11-19-32(29)40-33-20-12-9-17-30(33)35/h7-8,10-11,15-16,18-19H,3-6,9,12-14,17,20-26H2,1-2H3,(H,38,40)(H,39,44)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50379011 (CHEMBL2011589) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCNc2c3CCCCc3nc3ccccc23)c1C Show InChI InChI=1S/C35H44N6O/c1-25-32(26-13-5-8-16-29(26)39-34(25)41-23-21-40(2)22-24-41)35(42)37-20-12-4-3-11-19-36-33-27-14-6-9-17-30(27)38-31-18-10-7-15-28(31)33/h5-6,8-9,13-14,16-17H,3-4,7,10-12,15,18-24H2,1-2H3,(H,36,38)(H,37,42)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50379022 (CHEMBL2011600) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)c1C Show InChI InChI=1S/C41H69N5O12/c1-34-37(35-8-6-7-9-36(35)44-38(34)46-14-12-45(5)13-15-46)39(47)42-10-16-49-18-20-51-22-24-53-26-28-55-30-32-57-33-31-56-29-27-54-25-23-52-21-19-50-17-11-43-40(48)58-41(2,3)4/h6-9H,10-33H2,1-5H3,(H,42,47)(H,43,48)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50379021 (CHEMBL2011599) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)c1C Show InChI InChI=1S/C37H61N5O10/c1-30-33(31-8-6-7-9-32(31)40-34(30)42-14-12-41(5)13-15-42)35(43)38-10-16-45-18-20-47-22-24-49-26-28-51-29-27-50-25-23-48-21-19-46-17-11-39-36(44)52-37(2,3)4/h6-9H,10-29H2,1-5H3,(H,38,43)(H,39,44)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50019525 (CHEMBL3291080) Show SMILES Clc1cc2C(=O)N(CCCN3CCCCC3)C(=O)c3cccc(n1)c23 Show InChI InChI=1S/C19H20ClN3O2/c20-16-12-14-17-13(6-4-7-15(17)21-16)18(24)23(19(14)25)11-5-10-22-8-2-1-3-9-22/h4,6-7,12H,1-3,5,8-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50379015 (CHEMBL2011593) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)NCC(O)=O)c1C Show InChI InChI=1S/C35H56N6O11/c1-28-32(29-5-3-4-6-30(29)39-33(28)41-11-9-40(2)10-12-41)34(44)36-7-13-46-15-17-48-19-21-50-23-25-52-26-24-51-22-20-49-18-16-47-14-8-37-35(45)38-27-31(42)43/h3-6H,7-27H2,1-2H3,(H,36,44)(H,42,43)(H2,37,38,45)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50379019 (CHEMBL2011597) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCCNC(=O)OC(C)(C)C)c1C Show InChI InChI=1S/C29H45N5O3/c1-22-25(23-14-10-11-15-24(23)32-26(22)34-20-18-33(5)19-21-34)27(35)30-16-12-8-6-7-9-13-17-31-28(36)37-29(2,3)4/h10-11,14-15H,6-9,12-13,16-21H2,1-5H3,(H,30,35)(H,31,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50379020 (CHEMBL2011598) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCNC(=O)OC(C)(C)C)c1C Show InChI InChI=1S/C27H41N5O5/c1-20-23(21-8-6-7-9-22(21)30-24(20)32-14-12-31(5)13-15-32)25(33)28-10-16-35-18-19-36-17-11-29-26(34)37-27(2,3)4/h6-9H,10-19H2,1-5H3,(H,28,33)(H,29,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50379014 (CHEMBL2011592) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCNC(=O)NCC(O)=O)c1C Show InChI InChI=1S/C25H36N6O6/c1-18-22(19-5-3-4-6-20(19)29-23(18)31-11-9-30(2)10-12-31)24(34)26-7-13-36-15-16-37-14-8-27-25(35)28-17-21(32)33/h3-6H,7-17H2,1-2H3,(H,26,34)(H,32,33)(H2,27,28,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50379016 (CHEMBL2011594) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)NCC(O)=O)c1C Show InChI InChI=1S/C39H64N6O13/c1-32-36(33-5-3-4-6-34(33)43-37(32)45-11-9-44(2)10-12-45)38(48)40-7-13-50-15-17-52-19-21-54-23-25-56-27-29-58-30-28-57-26-24-55-22-20-53-18-16-51-14-8-41-39(49)42-31-35(46)47/h3-6H,7-31H2,1-2H3,(H,40,48)(H,46,47)(H2,41,42,49)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (RAT)	BDBM50379017 (CHEMBL2011595) Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCNC(=O)OC(C)(C)C)c1C Show InChI InChI=1S/C27H41N5O3/c1-20-23(25(33)28-14-10-6-7-11-15-29-26(34)35-27(2,3)4)21-12-8-9-13-22(21)30-24(20)32-18-16-31(5)17-19-32/h8-9,12-13H,6-7,10-11,14-19H2,1-5H3,(H,28,33)(H,29,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery				ACS Med Chem Lett 2: 571-576 (2011) Article DOI: 10.1021/ml2000388 BindingDB Entry DOI: 10.7270/Q2CZ385C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50019522 (CHEMBL3291077) Show SMILES COc1cc2C(=O)N(CCCN3CCCCC3)Cc3cccc(n1)c23 Show InChI InChI=1S/C20H25N3O2/c1-25-18-13-16-19-15(7-5-8-17(19)21-18)14-23(20(16)24)12-6-11-22-9-3-2-4-10-22/h5,7-8,13H,2-4,6,9-12,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	283	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50019528 (CHEMBL3291083) Show SMILES O=C1N(CCCN2CCCCC2)C(=O)c2cc(nc3cccc1c23)N1CCCCC1 Show InChI InChI=1S/C24H30N4O2/c29-23-18-9-7-10-20-22(18)19(17-21(25-20)27-14-5-2-6-15-27)24(30)28(23)16-8-13-26-11-3-1-4-12-26/h7,9-10,17H,1-6,8,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	344	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50019524 (CHEMBL3291079) Show SMILES Clc1cc2C(=O)N(CCCN3CCCCC3)Cc3cccc(n1)c23 Show InChI InChI=1S/C19H22ClN3O/c20-17-12-15-18-14(6-4-7-16(18)21-17)13-23(19(15)24)11-5-10-22-8-2-1-3-9-22/h4,6-7,12H,1-3,5,8-11,13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	563	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50019526 (CHEMBL3291081) Show SMILES O=C1N(CCCN2CCCCC2)Cc2cccc3nc(cc1c23)N1CCCC1 Show InChI InChI=1S/C23H30N4O/c28-23-19-16-21(26-13-4-5-14-26)24-20-9-6-8-18(22(19)20)17-27(23)15-7-12-25-10-2-1-3-11-25/h6,8-9,16H,1-5,7,10-15,17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50019527 (CHEMBL3291082) Show SMILES O=C1N(CCCN2CCCCC2)C(=O)c2cc(nc3cccc1c23)N1CCCC1 Show InChI InChI=1S/C23H28N4O2/c28-22-17-8-6-9-19-21(17)18(16-20(24-19)26-13-4-5-14-26)23(29)27(22)15-7-12-25-10-2-1-3-11-25/h6,8-9,16H,1-5,7,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50019521 (CHEMBL3291076) Show SMILES COc1cc(C(=O)NCCCN2CCCCC2)c2ccccc2n1 Show InChI InChI=1S/C19H25N3O2/c1-24-18-14-16(15-8-3-4-9-17(15)21-18)19(23)20-10-7-13-22-11-5-2-6-12-22/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50355784 (CHEMBL1911623) Show SMILES CN(C(=O)Cn1c2nn(-c3ccccc3)c(=O)c2c(C)c2ccccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H21ClN4O2/c1-17-21-10-6-7-11-22(21)30(16-23(32)29(2)19-14-12-18(27)13-15-19)25-24(17)26(33)31(28-25)20-8-4-3-5-9-20/h3-15H,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry				J Med Chem 54: 7165-75 (2011) Article DOI: 10.1021/jm200770f BindingDB Entry DOI: 10.7270/Q2MG7PWM
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50355785 (CHEMBL1911624) Show SMILES CCCCN(C)C(=O)Cn1c2nn(-c3ccc(F)cc3)c(=O)c2c(C)c2ccccc12 Show InChI InChI=1S/C24H25FN4O2/c1-4-5-14-27(3)21(30)15-28-20-9-7-6-8-19(20)16(2)22-23(28)26-29(24(22)31)18-12-10-17(25)11-13-18/h6-13H,4-5,14-15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry				J Med Chem 54: 7165-75 (2011) Article DOI: 10.1021/jm200770f BindingDB Entry DOI: 10.7270/Q2MG7PWM
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50355781 (CHEMBL1911620) Show SMILES CCCCN(C)C(=O)Cn1c2nn(-c3ccccc3)c(=O)c2c(C)c2ccccc12 Show InChI InChI=1S/C24H26N4O2/c1-4-5-15-26(3)21(29)16-27-20-14-10-9-13-19(20)17(2)22-23(27)25-28(24(22)30)18-11-7-6-8-12-18/h6-14H,4-5,15-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry				J Med Chem 54: 7165-75 (2011) Article DOI: 10.1021/jm200770f BindingDB Entry DOI: 10.7270/Q2MG7PWM
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50355786 (CHEMBL1911625) Show SMILES CN(C(=O)Cn1c2nn(-c3ccc(F)cc3)c(=O)c2c(C)c2ccccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H20ClFN4O2/c1-16-21-5-3-4-6-22(21)31(15-23(33)30(2)19-11-7-17(27)8-12-19)25-24(16)26(34)32(29-25)20-13-9-18(28)10-14-20/h3-14H,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry				J Med Chem 54: 7165-75 (2011) Article DOI: 10.1021/jm200770f BindingDB Entry DOI: 10.7270/Q2MG7PWM
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50355783 (CHEMBL1911622) Show SMILES CCCCN(CCCC)C(=O)Cn1c2nn(-c3ccccc3)c(=O)c2c(C)c2ccccc12 Show InChI InChI=1S/C27H32N4O2/c1-4-6-17-29(18-7-5-2)24(32)19-30-23-16-12-11-15-22(23)20(3)25-26(30)28-31(27(25)33)21-13-9-8-10-14-21/h8-16H,4-7,17-19H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry				J Med Chem 54: 7165-75 (2011) Article DOI: 10.1021/jm200770f BindingDB Entry DOI: 10.7270/Q2MG7PWM
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22041 (2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...) Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Dihydrofolate reductase of Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50355782 (CHEMBL1911621) Show SMILES CCN(CC)C(=O)Cn1c2nn(-c3ccccc3)c(=O)c2c(C)c2ccccc12 Show InChI InChI=1S/C23H24N4O2/c1-4-25(5-2)20(28)15-26-19-14-10-9-13-18(19)16(3)21-22(26)24-27(23(21)29)17-11-7-6-8-12-17/h6-14H,4-5,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry				J Med Chem 54: 7165-75 (2011) Article DOI: 10.1021/jm200770f BindingDB Entry DOI: 10.7270/Q2MG7PWM
					More data for this Ligand-Target Pair
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	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry				J Med Chem 54: 7165-75 (2011) Article DOI: 10.1021/jm200770f BindingDB Entry DOI: 10.7270/Q2MG7PWM
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Dihydrofolate reductase of Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Translocator protein (Rattus norvegicus (rat))	BDBM50355767 (CHEMBL1911606) Show SMILES CN(C(=O)Cn1n(-c2ccccc2)c(=O)c2c(C)c3ccccc3nc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H21ClN4O2/c1-17-21-10-6-7-11-22(21)28-25-24(17)26(33)31(20-8-4-3-5-9-20)30(25)16-23(32)29(2)19-14-12-18(27)13-15-19/h3-15H,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry				J Med Chem 54: 7165-75 (2011) Article DOI: 10.1021/jm200770f BindingDB Entry DOI: 10.7270/Q2MG7PWM
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50059749 (3-Methyl-4-phenyl-quinoline-2-carboxylic acid benz...) Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1 Show InChI InChI=1S/C25H22N2O/c1-18-23(20-13-7-4-8-14-20)21-15-9-10-16-22(21)26-24(18)25(28)27(2)17-19-11-5-3-6-12-19/h3-16H,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat liver Dihydrofolate reductase.				Citation and Details
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50059754 (3-Methyl-4-phenyl-quinoline-2-carboxylic acid sec-...) Show SMILES CCC(C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2)c1C Show InChI InChI=1S/C22H24N2O/c1-5-15(2)24(4)22(25)21-16(3)20(17-11-7-6-8-12-17)18-13-9-10-14-19(18)23-21/h6-15H,5H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Dihydrofolate reductase of Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM50131729 (4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...) Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1F |(11.02,-3.02,;11.02,-1.48,;12.35,-.71,;13.68,-1.47,;15,-.68,;16.34,-1.45,;16.36,-2.99,;15.03,-3.76,;13.68,-3.01,;9.68,-.72,;9.67,.82,;8.35,-1.5,;7.01,-.73,;5.69,-1.52,;4.35,-.75,;3.02,-1.52,;3.02,-3.06,;4.35,-3.83,;5.69,-3.06,;7.03,-3.83,;8.36,-3.04,;9.69,-3.81,;7.03,-5.35,;5.69,-6.12,;5.69,-7.66,;7.03,-8.43,;8.36,-7.65,;8.36,-6.12,;9.69,-5.34,)| Show InChI InChI=1S/C25H21FN2O/c1-17-23(19-12-6-8-14-21(19)26)20-13-7-9-15-22(20)27-24(17)25(29)28(2)16-18-10-4-3-5-11-18/h3-15H,16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver				Citation and Details
					More data for this Ligand-Target Pair

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