Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'jarikote' and Initial = 'dv'   

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 1A (Homo sapiens (Human))	BDBM21393 (7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...) Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H]OH-DPAT from human recombinant 5-HT1A receptor measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21395 (3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H] ketanserin from human recombinant 5-HT2A receptor measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H] imipramine from human recombinant 5-HT transporter measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50024204 (1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...) Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT2B receptor in CHOK1 cells measured after 30 mins by HTRF assay				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50524648 (CHEMBL4579120) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])Cn3cc(COCCCCCCN(CCc4ccc5ccccc5c4)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)nn3 |r| Show InChI InChI=1S/C37H54N4O5/c1-27(2)17-22-43-34-32-16-20-40(19-15-28-13-14-29-11-7-8-12-30(29)23-28)18-9-5-6-10-21-42-26-31-24-41(39-38-31)25-33(44-32)35-36(34)46-37(3,4)45-35/h7-8,11-14,23-24,27,32-36H,5-6,9-10,15-22,25-26H2,1-4H3/t32-,33-,34+,35+,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [125I]NKA from human recombinant NK2 receptor measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50524648 (CHEMBL4579120) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])Cn3cc(COCCCCCCN(CCc4ccc5ccccc5c4)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)nn3 |r| Show InChI InChI=1S/C37H54N4O5/c1-27(2)17-22-43-34-32-16-20-40(19-15-28-13-14-29-11-7-8-12-30(29)23-28)18-9-5-6-10-21-42-26-31-24-41(39-38-31)25-33(44-32)35-36(34)46-37(3,4)45-35/h7-8,11-14,23-24,27,32-36H,5-6,9-10,15-22,25-26H2,1-4H3/t32-,33-,34+,35+,36-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H]OH-DPAT from human recombinant 5-HT1A receptor measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50524649 (CHEMBL4562303) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])COCc3cn(C[C@@]4([H])O[C@]([H])(CCN(CCc5ccc6ccccc6c5)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)[C@H](OCCC(C)C)[C@@]1([H])OC(C)(C)O[C@@]41[H])nn3 |r| Show InChI InChI=1S/C47H70N4O9/c1-30(2)18-23-53-40-36-16-21-50(20-15-32-13-14-33-11-9-10-12-34(33)25-32)22-17-37-41(54-24-19-31(3)4)45-43(58-47(7,8)60-45)39(56-37)29-52-28-35-26-51(49-48-35)27-38(55-36)42-44(40)59-46(5,6)57-42/h9-14,25-26,30-31,36-45H,15-24,27-29H2,1-8H3/t36-,37-,38-,39-,40+,41+,42+,43+,44-,45-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H]OH-DPAT from human recombinant 5-HT1A receptor measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50524648 (CHEMBL4579120) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])Cn3cc(COCCCCCCN(CCc4ccc5ccccc5c4)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)nn3 |r| Show InChI InChI=1S/C37H54N4O5/c1-27(2)17-22-43-34-32-16-20-40(19-15-28-13-14-29-11-7-8-12-30(29)23-28)18-9-5-6-10-21-42-26-31-24-41(39-38-31)25-33(44-32)35-36(34)46-37(3,4)45-35/h7-8,11-14,23-24,27,32-36H,5-6,9-10,15-22,25-26H2,1-4H3/t32-,33-,34+,35+,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT2B receptor in CHOK1 cells measured after 30 mins by HTRF assay				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50524648 (CHEMBL4579120) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])Cn3cc(COCCCCCCN(CCc4ccc5ccccc5c4)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)nn3 |r| Show InChI InChI=1S/C37H54N4O5/c1-27(2)17-22-43-34-32-16-20-40(19-15-28-13-14-29-11-7-8-12-30(29)23-28)18-9-5-6-10-21-42-26-31-24-41(39-38-31)25-33(44-32)35-36(34)46-37(3,4)45-35/h7-8,11-14,23-24,27,32-36H,5-6,9-10,15-22,25-26H2,1-4H3/t32-,33-,34+,35+,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H] ketanserin from human recombinant 5-HT2A receptor measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50524649 (CHEMBL4562303) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])COCc3cn(C[C@@]4([H])O[C@]([H])(CCN(CCc5ccc6ccccc6c5)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)[C@H](OCCC(C)C)[C@@]1([H])OC(C)(C)O[C@@]41[H])nn3 |r| Show InChI InChI=1S/C47H70N4O9/c1-30(2)18-23-53-40-36-16-21-50(20-15-32-13-14-33-11-9-10-12-34(33)25-32)22-17-37-41(54-24-19-31(3)4)45-43(58-47(7,8)60-45)39(56-37)29-52-28-35-26-51(49-48-35)27-38(55-36)42-44(40)59-46(5,6)57-42/h9-14,25-26,30-31,36-45H,15-24,27-29H2,1-8H3/t36-,37-,38-,39-,40+,41+,42+,43+,44-,45-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [125I]NKA from human recombinant NK2 receptor measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50524648 (CHEMBL4579120) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])Cn3cc(COCCCCCCN(CCc4ccc5ccccc5c4)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)nn3 |r| Show InChI InChI=1S/C37H54N4O5/c1-27(2)17-22-43-34-32-16-20-40(19-15-28-13-14-29-11-7-8-12-30(29)23-28)18-9-5-6-10-21-42-26-31-24-41(39-38-31)25-33(44-32)35-36(34)46-37(3,4)45-35/h7-8,11-14,23-24,27,32-36H,5-6,9-10,15-22,25-26H2,1-4H3/t32-,33-,34+,35+,36-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H] imipramine from human recombinant 5-HT transporter measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50524649 (CHEMBL4562303) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])COCc3cn(C[C@@]4([H])O[C@]([H])(CCN(CCc5ccc6ccccc6c5)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)[C@H](OCCC(C)C)[C@@]1([H])OC(C)(C)O[C@@]41[H])nn3 |r| Show InChI InChI=1S/C47H70N4O9/c1-30(2)18-23-53-40-36-16-21-50(20-15-32-13-14-33-11-9-10-12-34(33)25-32)22-17-37-41(54-24-19-31(3)4)45-43(58-47(7,8)60-45)39(56-37)29-52-28-35-26-51(49-48-35)27-38(55-36)42-44(40)59-46(5,6)57-42/h9-14,25-26,30-31,36-45H,15-24,27-29H2,1-8H3/t36-,37-,38-,39-,40+,41+,42+,43+,44-,45-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H] ketanserin from human recombinant 5-HT2A receptor measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50524649 (CHEMBL4562303) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])COCc3cn(C[C@@]4([H])O[C@]([H])(CCN(CCc5ccc6ccccc6c5)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)[C@H](OCCC(C)C)[C@@]1([H])OC(C)(C)O[C@@]41[H])nn3 |r| Show InChI InChI=1S/C47H70N4O9/c1-30(2)18-23-53-40-36-16-21-50(20-15-32-13-14-33-11-9-10-12-34(33)25-32)22-17-37-41(54-24-19-31(3)4)45-43(58-47(7,8)60-45)39(56-37)29-52-28-35-26-51(49-48-35)27-38(55-36)42-44(40)59-46(5,6)57-42/h9-14,25-26,30-31,36-45H,15-24,27-29H2,1-8H3/t36-,37-,38-,39-,40+,41+,42+,43+,44-,45-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT2B receptor in CHOK1 cells measured after 30 mins by HTRF assay				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50524649 (CHEMBL4562303) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])COCc3cn(C[C@@]4([H])O[C@]([H])(CCN(CCc5ccc6ccccc6c5)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)[C@H](OCCC(C)C)[C@@]1([H])OC(C)(C)O[C@@]41[H])nn3 |r| Show InChI InChI=1S/C47H70N4O9/c1-30(2)18-23-53-40-36-16-21-50(20-15-32-13-14-33-11-9-10-12-34(33)25-32)22-17-37-41(54-24-19-31(3)4)45-43(58-47(7,8)60-45)39(56-37)29-52-28-35-26-51(49-48-35)27-38(55-36)42-44(40)59-46(5,6)57-42/h9-14,25-26,30-31,36-45H,15-24,27-29H2,1-8H3/t36-,37-,38-,39-,40+,41+,42+,43+,44-,45-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H] imipramine from human recombinant 5-HT transporter measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50524648 (CHEMBL4579120) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])Cn3cc(COCCCCCCN(CCc4ccc5ccccc5c4)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)nn3 |r| Show InChI InChI=1S/C37H54N4O5/c1-27(2)17-22-43-34-32-16-20-40(19-15-28-13-14-29-11-7-8-12-30(29)23-28)18-9-5-6-10-21-42-26-31-24-41(39-38-31)25-33(44-32)35-36(34)46-37(3,4)45-35/h7-8,11-14,23-24,27,32-36H,5-6,9-10,15-22,25-26H2,1-4H3/t32-,33-,34+,35+,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H] mesulergine from human recombinant 5-HT2C receptor measured after 120 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM21393 (7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...) Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H]OH-DPAT from human recombinant 5-HT1A receptor measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM21395 (3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H] ketanserin from human recombinant 5-HT2A receptor measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H] imipramine from human recombinant 5-HT transporter measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50024204 (1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...) Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT2B receptor in CHOK1 cells measured after 30 mins by HTRF assay				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50524648 (CHEMBL4579120) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])Cn3cc(COCCCCCCN(CCc4ccc5ccccc5c4)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)nn3 |r| Show InChI InChI=1S/C37H54N4O5/c1-27(2)17-22-43-34-32-16-20-40(19-15-28-13-14-29-11-7-8-12-30(29)23-28)18-9-5-6-10-21-42-26-31-24-41(39-38-31)25-33(44-32)35-36(34)46-37(3,4)45-35/h7-8,11-14,23-24,27,32-36H,5-6,9-10,15-22,25-26H2,1-4H3/t32-,33-,34+,35+,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [125I]NKA from human recombinant NK2 receptor measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50524648 (CHEMBL4579120) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])Cn3cc(COCCCCCCN(CCc4ccc5ccccc5c4)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)nn3 |r| Show InChI InChI=1S/C37H54N4O5/c1-27(2)17-22-43-34-32-16-20-40(19-15-28-13-14-29-11-7-8-12-30(29)23-28)18-9-5-6-10-21-42-26-31-24-41(39-38-31)25-33(44-32)35-36(34)46-37(3,4)45-35/h7-8,11-14,23-24,27,32-36H,5-6,9-10,15-22,25-26H2,1-4H3/t32-,33-,34+,35+,36-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H]OH-DPAT from human recombinant 5-HT1A receptor measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50524649 (CHEMBL4562303) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])COCc3cn(C[C@@]4([H])O[C@]([H])(CCN(CCc5ccc6ccccc6c5)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)[C@H](OCCC(C)C)[C@@]1([H])OC(C)(C)O[C@@]41[H])nn3 |r| Show InChI InChI=1S/C47H70N4O9/c1-30(2)18-23-53-40-36-16-21-50(20-15-32-13-14-33-11-9-10-12-34(33)25-32)22-17-37-41(54-24-19-31(3)4)45-43(58-47(7,8)60-45)39(56-37)29-52-28-35-26-51(49-48-35)27-38(55-36)42-44(40)59-46(5,6)57-42/h9-14,25-26,30-31,36-45H,15-24,27-29H2,1-8H3/t36-,37-,38-,39-,40+,41+,42+,43+,44-,45-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H]OH-DPAT from human recombinant 5-HT1A receptor measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50524648 (CHEMBL4579120) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])Cn3cc(COCCCCCCN(CCc4ccc5ccccc5c4)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)nn3 |r| Show InChI InChI=1S/C37H54N4O5/c1-27(2)17-22-43-34-32-16-20-40(19-15-28-13-14-29-11-7-8-12-30(29)23-28)18-9-5-6-10-21-42-26-31-24-41(39-38-31)25-33(44-32)35-36(34)46-37(3,4)45-35/h7-8,11-14,23-24,27,32-36H,5-6,9-10,15-22,25-26H2,1-4H3/t32-,33-,34+,35+,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT2B receptor in CHOK1 cells measured after 30 mins by HTRF assay				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50524648 (CHEMBL4579120) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])Cn3cc(COCCCCCCN(CCc4ccc5ccccc5c4)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)nn3 |r| Show InChI InChI=1S/C37H54N4O5/c1-27(2)17-22-43-34-32-16-20-40(19-15-28-13-14-29-11-7-8-12-30(29)23-28)18-9-5-6-10-21-42-26-31-24-41(39-38-31)25-33(44-32)35-36(34)46-37(3,4)45-35/h7-8,11-14,23-24,27,32-36H,5-6,9-10,15-22,25-26H2,1-4H3/t32-,33-,34+,35+,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H] ketanserin from human recombinant 5-HT2A receptor measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50524649 (CHEMBL4562303) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])COCc3cn(C[C@@]4([H])O[C@]([H])(CCN(CCc5ccc6ccccc6c5)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)[C@H](OCCC(C)C)[C@@]1([H])OC(C)(C)O[C@@]41[H])nn3 |r| Show InChI InChI=1S/C47H70N4O9/c1-30(2)18-23-53-40-36-16-21-50(20-15-32-13-14-33-11-9-10-12-34(33)25-32)22-17-37-41(54-24-19-31(3)4)45-43(58-47(7,8)60-45)39(56-37)29-52-28-35-26-51(49-48-35)27-38(55-36)42-44(40)59-46(5,6)57-42/h9-14,25-26,30-31,36-45H,15-24,27-29H2,1-8H3/t36-,37-,38-,39-,40+,41+,42+,43+,44-,45-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [125I]NKA from human recombinant NK2 receptor measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50524648 (CHEMBL4579120) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])Cn3cc(COCCCCCCN(CCc4ccc5ccccc5c4)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)nn3 |r| Show InChI InChI=1S/C37H54N4O5/c1-27(2)17-22-43-34-32-16-20-40(19-15-28-13-14-29-11-7-8-12-30(29)23-28)18-9-5-6-10-21-42-26-31-24-41(39-38-31)25-33(44-32)35-36(34)46-37(3,4)45-35/h7-8,11-14,23-24,27,32-36H,5-6,9-10,15-22,25-26H2,1-4H3/t32-,33-,34+,35+,36-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H] imipramine from human recombinant 5-HT transporter measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50524649 (CHEMBL4562303) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])COCc3cn(C[C@@]4([H])O[C@]([H])(CCN(CCc5ccc6ccccc6c5)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)[C@H](OCCC(C)C)[C@@]1([H])OC(C)(C)O[C@@]41[H])nn3 |r| Show InChI InChI=1S/C47H70N4O9/c1-30(2)18-23-53-40-36-16-21-50(20-15-32-13-14-33-11-9-10-12-34(33)25-32)22-17-37-41(54-24-19-31(3)4)45-43(58-47(7,8)60-45)39(56-37)29-52-28-35-26-51(49-48-35)27-38(55-36)42-44(40)59-46(5,6)57-42/h9-14,25-26,30-31,36-45H,15-24,27-29H2,1-8H3/t36-,37-,38-,39-,40+,41+,42+,43+,44-,45-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H] ketanserin from human recombinant 5-HT2A receptor measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
Galectin (Gallus gallus)	BDBM50401022 (CHEMBL2203662) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(CO[C@H]3[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H](CC=C)O[C@@H]3C(=O)NCc3ccc(CNC(=O)[C@@H]4O[C@@H](CC=C)[C@@H](OCc5ccccc5)[C@H](OCc5ccccc5)[C@H]4OCc4cn(nn4)[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)cc3)nn2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C84H106N8O30/c1-3-17-53-71(109-39-47-19-9-5-10-20-47)73(111-41-49-23-13-7-14-24-49)75(113-43-51-33-91(89-87-51)81-65(103)63(101)69(57(37-95)117-81)121-83-67(105)61(99)59(97)55(35-93)119-83)77(115-53)79(107)85-31-45-27-29-46(30-28-45)32-86-80(108)78-76(74(112-42-50-25-15-8-16-26-50)72(54(116-78)18-4-2)110-40-48-21-11-6-12-22-48)114-44-52-34-92(90-88-52)82-66(104)64(102)70(58(38-96)118-82)122-84-68(106)62(100)60(98)56(36-94)120-84/h3-16,19-30,33-34,53-78,81-84,93-106H,1-2,17-18,31-32,35-44H2,(H,85,107)(H,86,108)/t53-,54+,55-,56-,57-,58-,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,70-,71+,72-,73-,74+,75+,76-,77+,78-,81-,82-,83+,84+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated chicken galectin-3 to surface immobilized asialofetuin by solid phase assay				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50524649 (CHEMBL4562303) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])COCc3cn(C[C@@]4([H])O[C@]([H])(CCN(CCc5ccc6ccccc6c5)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)[C@H](OCCC(C)C)[C@@]1([H])OC(C)(C)O[C@@]41[H])nn3 |r| Show InChI InChI=1S/C47H70N4O9/c1-30(2)18-23-53-40-36-16-21-50(20-15-32-13-14-33-11-9-10-12-34(33)25-32)22-17-37-41(54-24-19-31(3)4)45-43(58-47(7,8)60-45)39(56-37)29-52-28-35-26-51(49-48-35)27-38(55-36)42-44(40)59-46(5,6)57-42/h9-14,25-26,30-31,36-45H,15-24,27-29H2,1-8H3/t36-,37-,38-,39-,40+,41+,42+,43+,44-,45-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT2B receptor in CHOK1 cells measured after 30 mins by HTRF assay				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
Galectin (Gallus gallus)	BDBM50401021 (CHEMBL2203665) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(nn2)-c2ccc(cc2)-c2cn(nn2)[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C34H48N6O20/c41-7-15-19(45)21(47)27(53)33(57-15)59-29-17(9-43)55-31(25(51)23(29)49)39-5-13(35-37-39)11-1-2-12(4-3-11)14-6-40(38-36-14)32-26(52)24(50)30(18(10-44)56-32)60-34-28(54)22(48)20(46)16(8-42)58-34/h1-6,15-34,41-54H,7-10H2/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated chicken galectin-3 to surface immobilized asialofetuin by solid phase assay				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
Galectin (Gallus gallus)	BDBM50401023 (CHEMBL2203663) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(CO[C@H]3[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]4C\C=C\C[C@@H]5O[C@H]([C@H](OCc6cn(nn6)[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@H](OCc6ccccc6)[C@@H]5OCc5ccccc5)C(=O)NCc5ccc(CNC(=O)[C@H]3O4)cc5)nn2)[C@H](O)[C@@H](O)[C@H]1O |r,t:45| Show InChI InChI=1S/C82H102N8O30/c91-33-53-57(95)59(97)65(103)81(117-53)119-67-55(35-93)115-79(63(101)61(67)99)89-31-49(85-87-89)41-111-73-71(109-39-47-19-9-3-10-20-47)69(107-37-45-15-5-1-6-16-45)51-23-13-14-24-52-70(108-38-46-17-7-2-8-18-46)72(110-40-48-21-11-4-12-22-48)74(76(114-52)78(106)84-30-44-27-25-43(26-28-44)29-83-77(105)75(73)113-51)112-42-50-32-90(88-86-50)80-64(102)62(100)68(56(36-94)116-80)120-82-66(104)60(98)58(96)54(34-92)118-82/h1-22,25-28,31-32,51-76,79-82,91-104H,23-24,29-30,33-42H2,(H,83,105)(H,84,106)/b14-13+/t51-,52+,53-,54-,55-,56-,57+,58+,59+,60+,61-,62-,63-,64-,65-,66-,67-,68-,69+,70-,71-,72+,73+,74-,75+,76-,79-,80-,81+,82+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated chicken galectin-3 to surface immobilized asialofetuin by solid phase assay				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50524648 (CHEMBL4579120) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])Cn3cc(COCCCCCCN(CCc4ccc5ccccc5c4)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)nn3 |r| Show InChI InChI=1S/C37H54N4O5/c1-27(2)17-22-43-34-32-16-20-40(19-15-28-13-14-29-11-7-8-12-30(29)23-28)18-9-5-6-10-21-42-26-31-24-41(39-38-31)25-33(44-32)35-36(34)46-37(3,4)45-35/h7-8,11-14,23-24,27,32-36H,5-6,9-10,15-22,25-26H2,1-4H3/t32-,33-,34+,35+,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H] mesulergine from human recombinant 5-HT2C receptor measured after 120 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50524649 (CHEMBL4562303) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])COCc3cn(C[C@@]4([H])O[C@]([H])(CCN(CCc5ccc6ccccc6c5)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)[C@H](OCCC(C)C)[C@@]1([H])OC(C)(C)O[C@@]41[H])nn3 |r| Show InChI InChI=1S/C47H70N4O9/c1-30(2)18-23-53-40-36-16-21-50(20-15-32-13-14-33-11-9-10-12-34(33)25-32)22-17-37-41(54-24-19-31(3)4)45-43(58-47(7,8)60-45)39(56-37)29-52-28-35-26-51(49-48-35)27-38(55-36)42-44(40)59-46(5,6)57-42/h9-14,25-26,30-31,36-45H,15-24,27-29H2,1-8H3/t36-,37-,38-,39-,40+,41+,42+,43+,44-,45-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National University of Ireland Galway Curated by ChEMBL					Assay Description Displacement of [3H] imipramine from human recombinant 5-HT transporter measured after 60 mins by scintillation counter method				Eur J Med Chem 176: 292-309 (2019) Article DOI: 10.1016/j.ejmech.2019.04.064 BindingDB Entry DOI: 10.7270/Q2NP27V8
					More data for this Ligand-Target Pair
Beta-galactoside-binding lectin (Gallus gallus)	BDBM50401022 (CHEMBL2203662) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(CO[C@H]3[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H](CC=C)O[C@@H]3C(=O)NCc3ccc(CNC(=O)[C@@H]4O[C@@H](CC=C)[C@@H](OCc5ccccc5)[C@H](OCc5ccccc5)[C@H]4OCc4cn(nn4)[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)cc3)nn2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C84H106N8O30/c1-3-17-53-71(109-39-47-19-9-5-10-20-47)73(111-41-49-23-13-7-14-24-49)75(113-43-51-33-91(89-87-51)81-65(103)63(101)69(57(37-95)117-81)121-83-67(105)61(99)59(97)55(35-93)119-83)77(115-53)79(107)85-31-45-27-29-46(30-28-45)32-86-80(108)78-76(74(112-42-50-25-15-8-16-26-50)72(54(116-78)18-4-2)110-40-48-21-11-6-12-22-48)114-44-52-34-92(90-88-52)82-66(104)64(102)70(58(38-96)118-82)122-84-68(106)62(100)60(98)56(36-94)120-84/h3-16,19-30,33-34,53-78,81-84,93-106H,1-2,17-18,31-32,35-44H2,(H,85,107)(H,86,108)/t53-,54+,55-,56-,57-,58-,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,70-,71+,72-,73-,74+,75+,76-,77+,78-,81-,82-,83+,84+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
Galectin (Gallus gallus)	BDBM50401020 (CHEMBL2203664) Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(=O)\C=C\C(=O)N[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C28H46N2O22/c31-3-7-13(37)15(39)21(45)27(49-7)51-23-9(5-33)47-25(19(43)17(23)41)29-11(35)1-2-12(36)30-26-20(44)18(42)24(10(6-34)48-26)52-28-22(46)16(40)14(38)8(4-32)50-28/h1-2,7-10,13-28,31-34,37-46H,3-6H2,(H,29,35)(H,30,36)/b2-1+/t7-,8-,9-,10-,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated chicken galectin-3 to surface immobilized asialofetuin by solid phase assay				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
Beta-galactoside-binding lectin (Gallus gallus)	BDBM50401023 (CHEMBL2203663) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(CO[C@H]3[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]4C\C=C\C[C@@H]5O[C@H]([C@H](OCc6cn(nn6)[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@H](OCc6ccccc6)[C@@H]5OCc5ccccc5)C(=O)NCc5ccc(CNC(=O)[C@H]3O4)cc5)nn2)[C@H](O)[C@@H](O)[C@H]1O |r,t:45| Show InChI InChI=1S/C82H102N8O30/c91-33-53-57(95)59(97)65(103)81(117-53)119-67-55(35-93)115-79(63(101)61(67)99)89-31-49(85-87-89)41-111-73-71(109-39-47-19-9-3-10-20-47)69(107-37-45-15-5-1-6-16-45)51-23-13-14-24-52-70(108-38-46-17-7-2-8-18-46)72(110-40-48-21-11-4-12-22-48)74(76(114-52)78(106)84-30-44-27-25-43(26-28-44)29-83-77(105)75(73)113-51)112-42-50-32-90(88-86-50)80-64(102)62(100)68(56(36-94)116-80)120-82-66(104)60(98)58(96)54(34-92)118-82/h1-22,25-28,31-32,51-76,79-82,91-104H,23-24,29-30,33-42H2,(H,83,105)(H,84,106)/b14-13+/t51-,52+,53-,54-,55-,56-,57+,58+,59+,60+,61-,62-,63-,64-,65-,66-,67-,68-,69+,70-,71-,72+,73+,74-,75+,76-,79-,80-,81+,82+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
Galectin (Gallus gallus)	BDBM50401023 (CHEMBL2203663) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(CO[C@H]3[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]4C\C=C\C[C@@H]5O[C@H]([C@H](OCc6cn(nn6)[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@H](OCc6ccccc6)[C@@H]5OCc5ccccc5)C(=O)NCc5ccc(CNC(=O)[C@H]3O4)cc5)nn2)[C@H](O)[C@@H](O)[C@H]1O |r,t:45| Show InChI InChI=1S/C82H102N8O30/c91-33-53-57(95)59(97)65(103)81(117-53)119-67-55(35-93)115-79(63(101)61(67)99)89-31-49(85-87-89)41-111-73-71(109-39-47-19-9-3-10-20-47)69(107-37-45-15-5-1-6-16-45)51-23-13-14-24-52-70(108-38-46-17-7-2-8-18-46)72(110-40-48-21-11-4-12-22-48)74(76(114-52)78(106)84-30-44-27-25-43(26-28-44)29-83-77(105)75(73)113-51)112-42-50-32-90(88-86-50)80-64(102)62(100)68(56(36-94)116-80)120-82-66(104)60(98)58(96)54(34-92)118-82/h1-22,25-28,31-32,51-76,79-82,91-104H,23-24,29-30,33-42H2,(H,83,105)(H,84,106)/b14-13+/t51-,52+,53-,54-,55-,56-,57+,58+,59+,60+,61-,62-,63-,64-,65-,66-,67-,68-,69+,70-,71-,72+,73+,74-,75+,76-,79-,80-,81+,82+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated truncated chicken galectin-3 to surface immobilized asialofetuin by solid phase assay relative to free lactose				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
Galectin (Gallus gallus)	BDBM50401022 (CHEMBL2203662) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(CO[C@H]3[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H](CC=C)O[C@@H]3C(=O)NCc3ccc(CNC(=O)[C@@H]4O[C@@H](CC=C)[C@@H](OCc5ccccc5)[C@H](OCc5ccccc5)[C@H]4OCc4cn(nn4)[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)cc3)nn2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C84H106N8O30/c1-3-17-53-71(109-39-47-19-9-5-10-20-47)73(111-41-49-23-13-7-14-24-49)75(113-43-51-33-91(89-87-51)81-65(103)63(101)69(57(37-95)117-81)121-83-67(105)61(99)59(97)55(35-93)119-83)77(115-53)79(107)85-31-45-27-29-46(30-28-45)32-86-80(108)78-76(74(112-42-50-25-15-8-16-26-50)72(54(116-78)18-4-2)110-40-48-21-11-6-12-22-48)114-44-52-34-92(90-88-52)82-66(104)64(102)70(58(38-96)118-82)122-84-68(106)62(100)60(98)56(36-94)120-84/h3-16,19-30,33-34,53-78,81-84,93-106H,1-2,17-18,31-32,35-44H2,(H,85,107)(H,86,108)/t53-,54+,55-,56-,57-,58-,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,70-,71+,72-,73-,74+,75+,76-,77+,78-,81-,82-,83+,84+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated truncated chicken galectin-3 to surface immobilized asialofetuin by solid phase assay relative to free lactose				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
Galectin (Gallus gallus)	BDBM50370453 (LACTOSE | Lactose, anhydrous) Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated chicken galectin-3 to surface immobilized asialofetuin by solid phase assay				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
Galectin (Gallus gallus)	BDBM50401020 (CHEMBL2203664) Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(=O)\C=C\C(=O)N[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C28H46N2O22/c31-3-7-13(37)15(39)21(45)27(49-7)51-23-9(5-33)47-25(19(43)17(23)41)29-11(35)1-2-12(36)30-26-20(44)18(42)24(10(6-34)48-26)52-28-22(46)16(40)14(38)8(4-32)50-28/h1-2,7-10,13-28,31-34,37-46H,3-6H2,(H,29,35)(H,30,36)/b2-1+/t7-,8-,9-,10-,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated truncated chicken galectin-3 to surface immobilized asialofetuin by solid phase assay relative to free lactose				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
Beta-galactoside-binding lectin (Gallus gallus)	BDBM50401020 (CHEMBL2203664) Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(=O)\C=C\C(=O)N[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C28H46N2O22/c31-3-7-13(37)15(39)21(45)27(49-7)51-23-9(5-33)47-25(19(43)17(23)41)29-11(35)1-2-12(36)30-26-20(44)18(42)24(10(6-34)48-26)52-28-22(46)16(40)14(38)8(4-32)50-28/h1-2,7-10,13-28,31-34,37-46H,3-6H2,(H,29,35)(H,30,36)/b2-1+/t7-,8-,9-,10-,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
Beta-galactoside-binding lectin (Gallus gallus)	BDBM50401021 (CHEMBL2203665) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(nn2)-c2ccc(cc2)-c2cn(nn2)[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C34H48N6O20/c41-7-15-19(45)21(47)27(53)33(57-15)59-29-17(9-43)55-31(25(51)23(29)49)39-5-13(35-37-39)11-1-2-12(4-3-11)14-6-40(38-36-14)32-26(52)24(50)30(18(10-44)56-32)60-34-28(54)22(48)20(46)16(8-42)58-34/h1-6,15-34,41-54H,7-10H2/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
Galectin (Gallus gallus)	BDBM50401021 (CHEMBL2203665) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(nn2)-c2ccc(cc2)-c2cn(nn2)[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C34H48N6O20/c41-7-15-19(45)21(47)27(53)33(57-15)59-29-17(9-43)55-31(25(51)23(29)49)39-5-13(35-37-39)11-1-2-12(4-3-11)14-6-40(38-36-14)32-26(52)24(50)30(18(10-44)56-32)60-34-28(54)22(48)20(46)16(8-42)58-34/h1-6,15-34,41-54H,7-10H2/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated truncated chicken galectin-3 to surface immobilized asialofetuin by solid phase assay relative to free lactose				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
Galectin (Gallus gallus)	BDBM50401020 (CHEMBL2203664) Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(=O)\C=C\C(=O)N[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C28H46N2O22/c31-3-7-13(37)15(39)21(45)27(49-7)51-23-9(5-33)47-25(19(43)17(23)41)29-11(35)1-2-12(36)30-26-20(44)18(42)24(10(6-34)48-26)52-28-22(46)16(40)14(38)8(4-32)50-28/h1-2,7-10,13-28,31-34,37-46H,3-6H2,(H,29,35)(H,30,36)/b2-1+/t7-,8-,9-,10-,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated chicken galectin-3 to surface immobilized asialofetuin by solid phase assay relative to free lactose				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
Beta-galactoside-binding lectin (Gallus gallus)	BDBM50401021 (CHEMBL2203665) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(nn2)-c2ccc(cc2)-c2cn(nn2)[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C34H48N6O20/c41-7-15-19(45)21(47)27(53)33(57-15)59-29-17(9-43)55-31(25(51)23(29)49)39-5-13(35-37-39)11-1-2-12(4-3-11)14-6-40(38-36-14)32-26(52)24(50)30(18(10-44)56-32)60-34-28(54)22(48)20(46)16(8-42)58-34/h1-6,15-34,41-54H,7-10H2/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay relative to free lactose				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
Galectin (Gallus gallus)	BDBM50401021 (CHEMBL2203665) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(nn2)-c2ccc(cc2)-c2cn(nn2)[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C34H48N6O20/c41-7-15-19(45)21(47)27(53)33(57-15)59-29-17(9-43)55-31(25(51)23(29)49)39-5-13(35-37-39)11-1-2-12(4-3-11)14-6-40(38-36-14)32-26(52)24(50)30(18(10-44)56-32)60-34-28(54)22(48)20(46)16(8-42)58-34/h1-6,15-34,41-54H,7-10H2/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated truncated chicken galectin-3 to surface immobilized asialofetuin by solid phase assay				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
Beta-galactoside-binding lectin (Gallus gallus)	BDBM50401020 (CHEMBL2203664) Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(=O)\C=C\C(=O)N[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C28H46N2O22/c31-3-7-13(37)15(39)21(45)27(49-7)51-23-9(5-33)47-25(19(43)17(23)41)29-11(35)1-2-12(36)30-26-20(44)18(42)24(10(6-34)48-26)52-28-22(46)16(40)14(38)8(4-32)50-28/h1-2,7-10,13-28,31-34,37-46H,3-6H2,(H,29,35)(H,30,36)/b2-1+/t7-,8-,9-,10-,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay relative to free lactose				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
Beta-galactoside-binding lectin (Gallus gallus)	BDBM50370453 (LACTOSE | Lactose, anhydrous) Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
Galectin (Gallus gallus)	BDBM50401020 (CHEMBL2203664) Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(=O)\C=C\C(=O)N[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C28H46N2O22/c31-3-7-13(37)15(39)21(45)27(49-7)51-23-9(5-33)47-25(19(43)17(23)41)29-11(35)1-2-12(36)30-26-20(44)18(42)24(10(6-34)48-26)52-28-22(46)16(40)14(38)8(4-32)50-28/h1-2,7-10,13-28,31-34,37-46H,3-6H2,(H,29,35)(H,30,36)/b2-1+/t7-,8-,9-,10-,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated truncated chicken galectin-3 to surface immobilized asialofetuin by solid phase assay				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
Galectin (Gallus gallus)	BDBM50370453 (LACTOSE | Lactose, anhydrous) Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated truncated chicken galectin-3 to surface immobilized asialofetuin by solid phase assay				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair

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