Compile Data Set for Download or QSAR

Found 353 hits with Last Name = 'lochner' 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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50307815 (4-Hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyc...) Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2cccc(O)c12 |r| Show InChI InChI=1S/C18H24N4O2/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)17-16-14(22(2)20-17)7-4-8-15(16)23/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24)/t12-,13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting				J Med Chem 53: 2324-8 (2010) Article DOI: 10.1021/jm901827x BindingDB Entry DOI: 10.7270/Q2JQ11Z5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50307826 (1-Methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]n...) Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2c(OCc3ccccc3)cccc12 |r| Show InChI InChI=1S/C25H30N4O2/c1-28-19-10-6-11-20(28)15-18(14-19)26-25(30)23-21-12-7-13-22(24(21)29(2)27-23)31-16-17-8-4-3-5-9-17/h3-5,7-9,12-13,18-20H,6,10-11,14-16H2,1-2H3,(H,26,30)/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting				J Med Chem 53: 2324-8 (2010) Article DOI: 10.1021/jm901827x BindingDB Entry DOI: 10.7270/Q2JQ11Z5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50307824 (7-Hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyc...) Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2c(O)cccc12 |r| Show InChI InChI=1S/C18H24N4O2/c1-21-12-5-3-6-13(21)10-11(9-12)19-18(24)16-14-7-4-8-15(23)17(14)22(2)20-16/h4,7-8,11-13,23H,3,5-6,9-10H2,1-2H3,(H,19,24)/t12-,13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting				J Med Chem 53: 2324-8 (2010) Article DOI: 10.1021/jm901827x BindingDB Entry DOI: 10.7270/Q2JQ11Z5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50363283 (CHEMBL1945711) Show SMILES COc1ccc(cc1)C1=[N+]2C(C=C1)=Cc1c(C)c(CCC(=O)NCCCCCC(=O)NCCCn3nc(C(=O)NC4C[C@@H]5CCC[C@@H](C4)N5C)c4ccccc34)c(C)n1[B-]2(F)F |r,c:12,14,t:9,TLB:49:48:43.44.45:47.40.41| Show InChI InChI=1S/C47H59BF2N8O4/c1-31-39(32(2)57-43(31)30-37-19-23-41(58(37)48(57,49)50)33-17-20-38(62-4)21-18-33)22-24-45(60)51-25-9-5-6-16-44(59)52-26-11-27-56-42-15-8-7-14-40(42)46(54-56)47(61)53-34-28-35-12-10-13-36(29-34)55(35)3/h7-8,14-15,17-21,23,30,34-36H,5-6,9-13,16,22,24-29H2,1-4H3,(H,51,60)(H,52,59)(H,53,61)/t35-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bern Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A expressed in HEK293 cells after 1 hr by scintillation counting				Bioorg Med Chem Lett 22: 1151-5 (2012) Article DOI: 10.1016/j.bmcl.2011.11.097 BindingDB Entry DOI: 10.7270/Q237795K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50363287 (CHEMBL1945830) Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(CCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c2ccccc12 |r,wU:2.1,6.6,TLB:0:1:3.4.5:7.8.9,(1.85,-18.97,;1.02,-20.27,;.73,-21.74,;.75,-23.57,;-.77,-23.85,;.03,-22.8,;-.02,-21.04,;-1.71,-20.98,;-2,-22.45,;-1.05,-21.7,;-2.48,-23.91,;-3.98,-24.23,;-5.02,-23.09,;-4.46,-25.7,;-3.55,-26.95,;-4.46,-28.21,;-3.69,-29.54,;-2.15,-29.54,;-1.38,-30.88,;.16,-30.88,;.93,-32.21,;2.46,-32.22,;3.19,-30.86,;3.28,-33.53,;2.55,-34.89,;1.02,-34.94,;.29,-36.29,;1.11,-37.6,;2.65,-37.55,;3.37,-36.19,;3.47,-38.85,;5.01,-38.79,;3.93,-40.31,;.39,-38.96,;1.21,-40.26,;2.74,-40.21,;3.55,-41.53,;2.81,-42.89,;3.62,-44.2,;1.27,-42.92,;.47,-41.62,;-1.07,-41.67,;-1.88,-40.36,;-3.4,-40.41,;-4.2,-39.1,;-5.74,-39.14,;-3.48,-37.76,;-1.95,-37.72,;-1.15,-39.02,;-5.94,-27.73,;-7.27,-28.5,;-8.6,-27.73,;-8.6,-26.19,;-7.27,-25.41,;-5.94,-26.18,)| Show InChI InChI=1S/C42H42N6O6S/c1-47-26-7-6-8-27(47)20-25(19-26)44-40(51)39-31-9-2-3-10-35(31)48(46-39)18-5-4-17-43-42(55)45-24-11-14-30(34(21-24)41(52)53)38-32-15-12-28(49)22-36(32)54-37-23-29(50)13-16-33(37)38/h2-3,9-16,21-23,25-27,49H,4-8,17-20H2,1H3,(H,44,51)(H,52,53)(H2,43,45,55)/t26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 Bern Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A expressed in HEK293 cells after 1 hr by scintillation counting				Bioorg Med Chem Lett 22: 1151-5 (2012) Article DOI: 10.1016/j.bmcl.2011.11.097 BindingDB Entry DOI: 10.7270/Q237795K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50363291 (CHEMBL1945835) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCn1nc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C)c2ccccc12 |r,TLB:35:34:29.30.31:33.26.27| Show InChI InChI=1S/C32H40N6O3S/c1-36(2)28-16-7-14-26-25(28)13-8-17-30(26)42(40,41)33-18-9-19-38-29-15-5-4-12-27(29)31(35-38)32(39)34-22-20-23-10-6-11-24(21-22)37(23)3/h4-5,7-8,12-17,22-24,33H,6,9-11,18-21H2,1-3H3,(H,34,39)/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bern Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A expressed in HEK293 cells after 1 hr by scintillation counting				Bioorg Med Chem Lett 22: 1151-5 (2012) Article DOI: 10.1016/j.bmcl.2011.11.097 BindingDB Entry DOI: 10.7270/Q237795K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50000483 ((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting				J Med Chem 53: 2324-8 (2010) Article DOI: 10.1021/jm901827x BindingDB Entry DOI: 10.7270/Q2JQ11Z5
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50000483 ((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bern Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A expressed in HEK293 cells after 1 hr by scintillation counting				Bioorg Med Chem Lett 22: 1151-5 (2012) Article DOI: 10.1016/j.bmcl.2011.11.097 BindingDB Entry DOI: 10.7270/Q237795K
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50363285 (CHEMBL1945713) Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(CCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c2ccccc12 |r,wU:2.1,6.6,TLB:0:1:3.4.5:7.8.9,(1.46,5.41,;.63,4.1,;.34,2.63,;.36,.8,;-1.15,.53,;-.36,1.57,;-.41,3.34,;-2.1,3.39,;-2.39,1.93,;-1.44,2.67,;-2.87,.46,;-4.37,.14,;-5.4,1.28,;-4.85,-1.33,;-3.94,-2.58,;-4.85,-3.84,;-4.08,-5.17,;-2.54,-5.17,;-1.77,-6.51,;-.23,-6.51,;.54,-5.17,;-.23,-3.84,;2.08,-5.17,;2.85,-6.51,;2.08,-7.84,;2.85,-9.17,;4.39,-9.18,;5.16,-7.83,;4.39,-6.5,;6.7,-7.83,;7.47,-6.49,;8.19,-8.22,;5.16,-10.5,;6.7,-10.5,;7.47,-9.17,;9.02,-9.18,;9.78,-10.52,;11.32,-10.54,;8.99,-11.85,;7.46,-11.84,;6.69,-13.17,;5.15,-13.17,;4.39,-14.49,;2.85,-14.48,;2.07,-15.8,;2.1,-13.14,;2.87,-11.83,;4.4,-11.84,;-6.32,-3.36,;-7.66,-4.13,;-8.99,-3.36,;-8.99,-1.81,;-7.66,-1.04,;-6.32,-1.81,)| Show InChI InChI=1S/C41H40N6O6S/c1-46-25-6-4-7-26(46)19-24(18-25)43-39(50)38-30-8-2-3-9-34(30)47(45-38)17-5-16-42-41(54)44-23-10-13-29(33(20-23)40(51)52)37-31-14-11-27(48)21-35(31)53-36-22-28(49)12-15-32(36)37/h2-3,8-15,20-22,24-26,48H,4-7,16-19H2,1H3,(H,43,50)(H,51,52)(H2,42,44,54)/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
University of Bern Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A expressed in HEK293 cells after 1 hr by scintillation counting				Bioorg Med Chem Lett 22: 1151-5 (2012) Article DOI: 10.1016/j.bmcl.2011.11.097 BindingDB Entry DOI: 10.7270/Q237795K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50363292 (CHEMBL1945836) Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(CCCC(=O)OCCCC2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c23)c2ccccc12 |r,c:27,30,33,TLB:0:1:3.4.5:7.8.9| Show InChI InChI=1S/C37H47BF2N6O3/c1-23-19-25(3)45-35(23)31(36-24(2)20-26(4)46(36)38(45,39)40)14-10-18-49-33(47)16-9-17-44-32-15-7-6-13-30(32)34(42-44)37(48)41-27-21-28-11-8-12-29(22-27)43(28)5/h6-7,13,15,19-20,27-29H,8-12,14,16-18,21-22H2,1-5H3,(H,41,48)/t28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
University of Bern Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A expressed in HEK293 cells after 1 hr by scintillation counting				Bioorg Med Chem Lett 22: 1151-5 (2012) Article DOI: 10.1016/j.bmcl.2011.11.097 BindingDB Entry DOI: 10.7270/Q237795K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50307828 (1-(3-Aminopropyl)-N-[(3-endo)-9-methyl-9-azabicycl...) Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(CCCN)c2ccccc12 |r| Show InChI InChI=1S/C20H29N5O/c1-24-15-6-4-7-16(24)13-14(12-15)22-20(26)19-17-8-2-3-9-18(17)25(23-19)11-5-10-21/h2-3,8-9,14-16H,4-7,10-13,21H2,1H3,(H,22,26)/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting				J Med Chem 53: 2324-8 (2010) Article DOI: 10.1021/jm901827x BindingDB Entry DOI: 10.7270/Q2JQ11Z5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50363293 (CHEMBL1945837) Show SMILES CCN(CC)c1ccc2cc(C(=O)NCCOc3cccc4c(nn(C)c34)C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c(=O)oc2c1 |r,TLB:39:38:33.34.35:37.30.31| Show InChI InChI=1S/C34H42N6O5/c1-5-40(6-2)25-14-13-21-17-27(34(43)45-29(21)20-25)32(41)35-15-16-44-28-12-8-11-26-30(37-39(4)31(26)28)33(42)36-22-18-23-9-7-10-24(19-22)38(23)3/h8,11-14,17,20,22-24H,5-7,9-10,15-16,18-19H2,1-4H3,(H,35,41)(H,36,42)/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bern Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A expressed in HEK293 cells after 1 hr by scintillation counting				Bioorg Med Chem Lett 22: 1151-5 (2012) Article DOI: 10.1016/j.bmcl.2011.11.097 BindingDB Entry DOI: 10.7270/Q237795K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50307829 (5,5-difluoro-7,9-dimethyl-3-(2-(3-(3-((1S,5S)-9-me...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(CCCNC(=O)C\[NH+]=C2\C=CC3=Cc4c(C)cc(C)n4[B-](F)(F)N23)c2ccccc12 |c:27,t:29| Show InChI InChI=1S/C33H40BF2N8O2/c1-21-16-22(2)43-29(21)19-26-12-13-30(44(26)34(43,35)36)38-20-31(45)37-14-7-15-42-28-11-5-4-10-27(28)32(40-42)33(46)39-23-17-24-8-6-9-25(18-23)41(24)3/h4-5,10-13,16,19,23-25H,6-9,14-15,17-18,20H2,1-3H3,(H,37,45)(H,39,46)/q-1/p+1/b38-30-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Binding affinity to human 5HT3A receptor in HEK293 cells assessed as cell labeling by confocal microscopy				J Med Chem 53: 2324-8 (2010) Article DOI: 10.1021/jm901827x BindingDB Entry DOI: 10.7270/Q2JQ11Z5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50307818 (5-Hydroxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyc...) Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(C)c2ccc(O)cc12 |r| Show InChI InChI=1S/C18H24N4O2/c1-21-12-4-3-5-13(21)9-11(8-12)19-18(24)17-15-10-14(23)6-7-16(15)22(2)20-17/h6-7,10-13,23H,3-5,8-9H2,1-2H3,(H,19,24)/t12-,13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting				J Med Chem 53: 2324-8 (2010) Article DOI: 10.1021/jm901827x BindingDB Entry DOI: 10.7270/Q2JQ11Z5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50363286 (CHEMBL1945714) Show SMILES CCN(CC)c1ccc2cc(C(=O)NCCCCn3nc(C(=O)NC4C[C@@H]5CCC[C@@H](C4)N5C)c4ccccc34)c(=O)oc2c1 |r,TLB:33:32:27.28.29:31.24.25| Show InChI InChI=1S/C35H44N6O4/c1-4-40(5-2)27-16-15-23-19-29(35(44)45-31(23)22-27)33(42)36-17-8-9-18-41-30-14-7-6-13-28(30)32(38-41)34(43)37-24-20-25-11-10-12-26(21-24)39(25)3/h6-7,13-16,19,22,24-26H,4-5,8-12,17-18,20-21H2,1-3H3,(H,36,42)(H,37,43)/t25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bern Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A expressed in HEK293 cells after 1 hr by scintillation counting				Bioorg Med Chem Lett 22: 1151-5 (2012) Article DOI: 10.1016/j.bmcl.2011.11.097 BindingDB Entry DOI: 10.7270/Q237795K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50588454 (CHEMBL5174052) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Br)c3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50363290 (CHEMBL1945834) Show SMILES CN1[C@H]2CCC[C@H]1CC(C2)NC(=O)c1nn(CCCNc2ccc([N+]([O-])=O)c3nonc23)c2ccccc12 |r,TLB:0:1:3.4.5:7.8.9| Show InChI InChI=1S/C26H30N8O4/c1-32-17-6-4-7-18(32)15-16(14-17)28-26(35)23-19-8-2-3-9-21(19)33(29-23)13-5-12-27-20-10-11-22(34(36)37)25-24(20)30-38-31-25/h2-3,8-11,16-18,27H,4-7,12-15H2,1H3,(H,28,35)/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bern Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A expressed in HEK293 cells after 1 hr by scintillation counting				Bioorg Med Chem Lett 22: 1151-5 (2012) Article DOI: 10.1016/j.bmcl.2011.11.097 BindingDB Entry DOI: 10.7270/Q237795K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50588462 (CHEMBL5195714) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccccc3Cl)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50307816 (4-Methoxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyc...) Show SMILES COc1cccc2n(C)nc(C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c12 |r| Show InChI InChI=1S/C19H26N4O2/c1-22-13-6-4-7-14(22)11-12(10-13)20-19(24)18-17-15(23(2)21-18)8-5-9-16(17)25-3/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3,(H,20,24)/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting				J Med Chem 53: 2324-8 (2010) Article DOI: 10.1021/jm901827x BindingDB Entry DOI: 10.7270/Q2JQ11Z5
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50588454 (CHEMBL5174052) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Br)c3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50588463 (CHEMBL5174429) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Cl)c3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50588463 (CHEMBL5174429) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Cl)c3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50588458 (CHEMBL5171042) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccccc3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50588462 (CHEMBL5195714) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccccc3Cl)ncnc12 |r| Show InChI	PDB Reactome pathway 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									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50588456 (CHEMBL5205907) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Cl)c3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50588458 (CHEMBL5171042) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccccc3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50588455 (CHEMBL5197358) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccccc3Cl)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	52	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50588460 (CHEMBL5187330) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(OC)c3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	55	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50307827 (1-Methyl-N-[(3-endo)-9-(phenylmethyl)-9-azabicyclo...) Show SMILES Cn1nc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)c2ccccc12 |r| Show InChI InChI=1S/C24H28N4O/c1-27-22-13-6-5-12-21(22)23(26-27)24(29)25-18-14-19-10-7-11-20(15-18)28(19)16-17-8-3-2-4-9-17/h2-6,8-9,12-13,18-20H,7,10-11,14-16H2,1H3,(H,25,29)/t19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting				J Med Chem 53: 2324-8 (2010) Article DOI: 10.1021/jm901827x BindingDB Entry DOI: 10.7270/Q2JQ11Z5
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50588454 (CHEMBL5174052) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Br)c3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50588456 (CHEMBL5205907) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Cl)c3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	65	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50588455 (CHEMBL5197358) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccccc3Cl)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50307825 (7-Methoxy-1-methyl-N-[(3-endo)-9-methyl-9-azabicyc...) Show SMILES COc1cccc2c(nn(C)c12)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C |r| Show InChI InChI=1S/C19H26N4O2/c1-22-13-6-4-7-14(22)11-12(10-13)20-19(24)17-15-8-5-9-16(25-3)18(15)23(2)21-17/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3,(H,20,24)/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by scintillation counting				J Med Chem 53: 2324-8 (2010) Article DOI: 10.1021/jm901827x BindingDB Entry DOI: 10.7270/Q2JQ11Z5
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50588464 (CHEMBL5191989) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccc(Cl)cc3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	83	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50588461 (CHEMBL5203632) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Br)c3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	89	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50588454 (CHEMBL5174052) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Br)c3)ncnc12 |r| Show InChI	PDB Reactome pathway 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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50149592 (CVT-3619 | GS-9667) Show SMILES O[C@@H]1CCC[C@H]1Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSc2ccccc2F)[C@@H](O)[C@H]1O Show InChI InChI=1S/C21H24FN5O4S/c22-11-4-1-2-7-15(11)32-8-14-17(29)18(30)21(31-14)27-10-25-16-19(23-9-24-20(16)27)26-12-5-3-6-13(12)28/h1-2,4,7,9-10,12-14,17-18,21,28-30H,3,5-6,8H2,(H,23,24,26)/t12-,13-,14-,17-,18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Displacement of [3H]CPX from human Adenosine A1 receptor expressed in DDT1MF-2 cells				J Med Chem 59: 947-64 (2016) Article DOI: 10.1021/acs.jmedchem.5b01402 BindingDB Entry DOI: 10.7270/Q2FX7CBN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50588454 (CHEMBL5174052) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Br)c3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	115	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50149594 (CHEMBL3771208) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C22H27N5O5/c28-9-16-18(29)19(30)22(32-16)27-12-25-17-20(23-11-24-21(17)27)26-14-7-4-8-15(14)31-10-13-5-2-1-3-6-13/h1-3,5-6,11-12,14-16,18-19,22,28-30H,4,7-10H2,(H,23,24,26)/t14-,15-,16-,18-,19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	117	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50588450 (CHEMBL5184828) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3cccc(Cl)c3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50588464 (CHEMBL5191989) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccc(Cl)cc3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	138	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50588460 (CHEMBL5187330) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(OC)c3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	141	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50588449 (CHEMBL5208245) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccccc3Cl)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	141	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50588459 (CHEMBL5188601) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccc(cc3)C(C)(C)C)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	141	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50363288 (CHEMBL1945832) Show SMILES CCN(CC)c1ccc2cc(C(=O)NCCOCCOCCn3nc(C(=O)NC4C[C@@H]5CCC[C@@H](C4)N5C)c4ccccc34)c(=O)oc2c1 |r,TLB:37:36:31.32.33:35.28.29| Show InChI InChI=1S/C37H48N6O6/c1-4-42(5-2)29-14-13-25-21-31(37(46)49-33(25)24-29)35(44)38-15-17-47-19-20-48-18-16-43-32-12-7-6-11-30(32)34(40-43)36(45)39-26-22-27-9-8-10-28(23-26)41(27)3/h6-7,11-14,21,24,26-28H,4-5,8-10,15-20,22-23H2,1-3H3,(H,38,44)(H,39,45)/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bern Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A expressed in HEK293 cells after 1 hr by scintillation counting				Bioorg Med Chem Lett 22: 1151-5 (2012) Article DOI: 10.1016/j.bmcl.2011.11.097 BindingDB Entry DOI: 10.7270/Q237795K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50588451 (CHEMBL5186757) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3ccccc3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	145	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50588461 (CHEMBL5203632) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3Oc3cccc(Br)c3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	151	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50363294 (CHEMBL1945838) Show SMILES CCN(CC)c1ccc2cc(C(=O)NCCCOc3cccc4c(nn(C)c34)C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c(=O)oc2c1 |r,TLB:40:39:34.35.36:38.31.32| Show InChI InChI=1S/C35H44N6O5/c1-5-41(6-2)26-15-14-22-18-28(35(44)46-30(22)21-26)33(42)36-16-9-17-45-29-13-8-12-27-31(38-40(4)32(27)29)34(43)37-23-19-24-10-7-11-25(20-23)39(24)3/h8,12-15,18,21,23-25H,5-7,9-11,16-17,19-20H2,1-4H3,(H,36,42)(H,37,43)/t24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bern Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A expressed in HEK293 cells after 1 hr by scintillation counting				Bioorg Med Chem Lett 22: 1151-5 (2012) Article DOI: 10.1016/j.bmcl.2011.11.097 BindingDB Entry DOI: 10.7270/Q237795K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50363284 (CHEMBL1945712) Show SMILES CCN(CC)c1ccc2cc(C(=O)NCCCn3nc(C(=O)NC4C[C@@H]5CCC[C@@H](C4)N5C)c4ccccc34)c(=O)oc2c1 |r,TLB:32:31:26.27.28:30.23.24| Show InChI InChI=1S/C34H42N6O4/c1-4-39(5-2)26-15-14-22-18-28(34(43)44-30(22)21-26)32(41)35-16-9-17-40-29-13-7-6-12-27(29)31(37-40)33(42)36-23-19-24-10-8-11-25(20-23)38(24)3/h6-7,12-15,18,21,23-25H,4-5,8-11,16-17,19-20H2,1-3H3,(H,35,41)(H,36,42)/t24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	199	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bern Curated by ChEMBL					Assay Description Displacement of [3H]granisetron from human 5HT3A expressed in HEK293 cells after 1 hr by scintillation counting				Bioorg Med Chem Lett 22: 1151-5 (2012) Article DOI: 10.1016/j.bmcl.2011.11.097 BindingDB Entry DOI: 10.7270/Q237795K
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50588452 (CHEMBL5171285) Show SMILES CC(C)(C)c1ccc(O[C@@H]2CCC[C@H]2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	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.2c01414 BindingDB Entry DOI: 10.7270/Q20V8HRB
					More data for this Ligand-Target Pair

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