Compile Data Set for Download or QSAR

Found 656 hits of kd data for polymerid = 50002941,50006230,6167   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Galectin-3 (Homo sapiens (Human))	BDBM455404 (3,3′-Dideoxy-3-[4-(tetrahydropyran-4-yl)-1H-...) Show SMILES OC[C@H]1OC(S[C@@H]2OC(CO)[C@H](O)[C@@H](C2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)[C@H](O)C(C1O)n1cc(nn1)C1CCOCC1 |r| Show InChI InChI=1S/C27H33F3N6O9S/c28-13-5-12(6-14(29)19(13)30)16-8-36(34-32-16)21-23(40)18(10-38)45-27(25(21)42)46-26-24(41)20(22(39)17(9-37)44-26)35-7-15(31-33-35)11-1-3-43-4-2-11/h5-8,11,17-18,20-27,37-42H,1-4,9-10H2/t17-,18?,20?,21+,22?,23+,24-,25?,26?,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
GALECTO BIOTECH AB US Patent					Assay Description The affinity of Example 1-5 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the inter...				US Patent US10730902 (2020) BindingDB Entry DOI: 10.7270/Q2VD72HQ
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM468290 (3-{4-[(Butylamino)carbonyl]-1H-1,2,3-triazol-1-yl}...) Show SMILES CCCCNC(=O)c1cn(nn1)C1C(O)[C@@H](CO)OC(S[C@@H]2OC(CO)[C@H](O)[C@@H](C2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)[C@@H]1O |r| Show InChI InChI=1S/C27H34F3N7O9S/c1-2-3-4-31-25(44)15-8-37(35-33-15)20-22(41)17(10-39)46-27(24(20)43)47-26-23(42)19(21(40)16(9-38)45-26)36-7-14(32-34-36)11-5-12(28)18(30)13(29)6-11/h5-8,16-17,19-24,26-27,38-43H,2-4,9-10H2,1H3,(H,31,44)/t16?,17-,19+,20?,21+,22?,23?,24-,26+,27?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The affinity of compounds S8a-c, S11, S16, S20a-b and S21 for galectins were determined by a fluorescence anisotropy assay where the compound was use...				US Patent US10800804 (2020) BindingDB Entry DOI: 10.7270/Q2H70JWZ
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM468295 (3,3′-Dideoxy-3,3′-di-[4-(3-fluoropheny...) Show SMILES OCC1O[C@@H](S[C@@H]2O[C@H](CO)C(O)C([C@H]2O)n2cc(nn2)-c2cccc(F)c2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19-,20?,21?,22+,23?,24+,25-,26?,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The affinity of compounds S8a-c, S11, S16, S20a-b and S21 for galectins were determined by a fluorescence anisotropy assay where the compound was use...				US Patent US10800804 (2020) BindingDB Entry DOI: 10.7270/Q2H70JWZ
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM468297 (US10800804, Example 3b) Show SMILES OCC1O[C@@H](SC2O[C@H](CO)C(O)C([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r| Show InChI InChI=1S/C28H26F6N6O8S/c29-11-1-9(2-12(30)19(11)33)15-5-39(37-35-15)21-23(43)17(7-41)47-27(25(21)45)49-28-26(46)22(24(44)18(8-42)48-28)40-6-16(36-38-40)10-3-13(31)20(34)14(32)4-10/h1-6,17-18,21-28,41-46H,7-8H2/t17-,18?,21?,22+,23?,24+,25-,26?,27?,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The affinity of compounds 3a-c for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the in...				US Patent US10800804 (2020) BindingDB Entry DOI: 10.7270/Q2H70JWZ
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM468295 (3,3′-Dideoxy-3,3′-di-[4-(3-fluoropheny...) Show SMILES OCC1O[C@@H](S[C@@H]2O[C@H](CO)C(O)C([C@H]2O)n2cc(nn2)-c2cccc(F)c2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19-,20?,21?,22+,23?,24+,25-,26?,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The affinity of compounds S8a-c, S11, S16, S20a-b and S21 for galectins were determined by a fluorescence anisotropy assay where the compound was use...				US Patent US10800804 (2020) BindingDB Entry DOI: 10.7270/Q2H70JWZ
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50247479 (CHEMBL4104417) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r| Show InChI InChI=1S/C28H26F6N6O8S2/c29-11-1-9(2-12(30)19(11)33)15-5-39(37-35-15)21-23(43)17(7-41)47-27(25(21)45)49-50-28-26(46)22(24(44)18(8-42)48-28)40-6-16(36-38-40)10-3-13(31)20(34)14(32)4-10/h1-6,17-18,21-28,41-46H,7-8H2/t17-,18-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-[4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl]-...				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50247478 (CHEMBL4066068) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)cc(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C28H28F4N6O8S2/c29-13-1-11(2-14(30)5-13)17-7-37(35-33-17)21-23(41)19(9-39)45-27(25(21)43)47-48-28-26(44)22(24(42)20(10-40)46-28)38-8-18(34-36-38)12-3-15(31)6-16(32)4-12/h1-8,19-28,39-44H,9-10H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-[4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl]-...				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50247477 (CHEMBL4102995) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(F)c(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C28H28F4N6O8S2/c29-13-3-1-11(5-15(13)31)17-7-37(35-33-17)21-23(41)19(9-39)45-27(25(21)43)47-48-28-26(44)22(24(42)20(10-40)46-28)38-8-18(34-36-38)12-2-4-14(30)16(32)6-12/h1-8,19-28,39-44H,9-10H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-[4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl]-...				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50247477 (CHEMBL4102995) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(F)c(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C28H28F4N6O8S2/c29-13-3-1-11(5-15(13)31)17-7-37(35-33-17)21-23(41)19(9-39)45-27(25(21)43)47-48-28-26(44)22(24(42)20(10-40)46-28)38-8-18(34-36-38)12-2-4-14(30)16(32)6-12/h1-8,19-28,39-44H,9-10H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxybenzamido)-1,1'-sulfanediyl-di-beta-...				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50247478 (CHEMBL4066068) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)cc(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C28H28F4N6O8S2/c29-13-1-11(2-14(30)5-13)17-7-37(35-33-17)21-23(41)19(9-39)45-27(25(21)43)47-48-28-26(44)22(24(42)20(10-40)46-28)38-8-18(34-36-38)12-3-15(31)6-16(32)4-12/h1-8,19-28,39-44H,9-10H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxybenzamido)-1,1'-sulfanediyl-di-beta-...				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50247479 (CHEMBL4104417) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r| Show InChI InChI=1S/C28H26F6N6O8S2/c29-11-1-9(2-12(30)19(11)33)15-5-39(37-35-15)21-23(43)17(7-41)47-27(25(21)45)49-50-28-26(46)22(24(44)18(8-42)48-28)40-6-16(36-38-40)10-3-13(31)20(34)14(32)4-10/h1-6,17-18,21-28,41-46H,7-8H2/t17-,18-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Binding affinity to human galectin 3 C-terminal domain expressed in Escherichia coli BL21(DE3) by competitive isothermal titration calorimetric analy...				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM560370 (3,4-Dichlorophenyl 3- deoxy-3-[4-(2,3,4,5,6- penta...) Show SMILES OCC1O[C@@H]([C@@H](O)C([C@H]1O)n1cc(nn1)-c1c(F)c(F)c(F)c(F)c1F)S(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assay was adapted to be able to measure the high affinity of compounds for galectin-3 by using the below probe constructed to have high affinity ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T72MPN
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM455401 (3,3'-Dideoxy-3- [4-(morpholin-4- yl)-1H-1,2,3- tri...) Show SMILES OC[C@H]1OC(S[C@@H]2OC(CO)[C@H](O)[C@@H](C2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)[C@H](O)C(C1O)n1cc(nn1)N1CCOCC1 |r| Show InChI InChI=1S/C26H32F3N7O9S/c27-12-5-11(6-13(28)18(12)29)14-7-35(32-30-14)19-21(39)15(9-37)44-25(23(19)41)46-26-24(42)20(22(40)16(10-38)45-26)36-8-17(31-33-36)34-1-3-43-4-2-34/h5-8,15-16,19-26,37-42H,1-4,9-10H2/t15?,16-,19+,20?,21+,22?,23?,24-,25+,26?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a
GALECTO BIOTECH AB US Patent					Assay Description The affinity of Example 1-5 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the inter...				US Patent US10730902 (2020) BindingDB Entry DOI: 10.7270/Q2VD72HQ
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM455405 (3,3′-Dideoxy-3-[4-(propan-2-yl)-1H-1,2,3-tri...) Show SMILES CC(C)c1cn(nn1)C1C(O)[C@@H](CO)OC(S[C@@H]2OC(CO)[C@H](O)[C@@H](C2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)[C@@H]1O |r| Show InChI InChI=1S/C25H31F3N6O8S/c1-9(2)13-5-33(31-29-13)18-20(37)15(7-35)41-24(22(18)39)43-25-23(40)19(21(38)16(8-36)42-25)34-6-14(30-32-34)10-3-11(26)17(28)12(27)4-10/h3-6,9,15-16,18-25,35-40H,7-8H2,1-2H3/t15-,16?,18?,19+,20?,21+,22-,23?,24?,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a
GALECTO BIOTECH AB US Patent					Assay Description The affinity of Example 1-5 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the inter...				US Patent US10730902 (2020) BindingDB Entry DOI: 10.7270/Q2VD72HQ
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM468288 (3′-Deoxy-3-O-[(5,6-difluoro-2-oxo-3-chromeny...) Show SMILES OC[C@H]1OC(S[C@@H]2OC(CO)[C@H](O)[C@@H](C2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)[C@H](O)C(OCc2cc3c(F)c(F)ccc3oc2=O)C1O |r| Show InChI InChI=1S/C30H28F5N3O11S/c31-13-1-2-17-12(20(13)34)3-11(28(45)47-17)9-46-27-24(42)19(8-40)49-30(26(27)44)50-29-25(43)22(23(41)18(7-39)48-29)38-6-16(36-37-38)10-4-14(32)21(35)15(33)5-10/h1-6,18-19,22-27,29-30,39-44H,7-9H2/t18?,19-,22+,23+,24?,25?,26-,27?,29+,30?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The affinity of compounds S8a-c, S11, S16, S20a-b and S21 for galectins were determined by a fluorescence anisotropy assay where the compound was use...				US Patent US10800804 (2020) BindingDB Entry DOI: 10.7270/Q2H70JWZ
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM468298 (US10800804, Example 3c) Show SMILES OCC1O[C@@H](SC2O[C@H](CO)C(O)C([C@H]2O)n2cc(nn2)-c2cc(F)cc(F)c2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C28H28F4N6O8S/c29-13-1-11(2-14(30)5-13)17-7-37(35-33-17)21-23(41)19(9-39)45-27(25(21)43)47-28-26(44)22(24(42)20(10-40)46-28)38-8-18(34-36-38)12-3-15(31)6-16(32)4-12/h1-8,19-28,39-44H,9-10H2/t19-,20?,21?,22+,23?,24+,25-,26?,27?,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The affinity of compounds 3a-c for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the in...				US Patent US10800804 (2020) BindingDB Entry DOI: 10.7270/Q2H70JWZ
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM461847 (3,4-Dichlorophenyl 3-deoxy-3-[4-(2,3,4,5,6-pentafl...) Show SMILES OCC1O[C@@H](C(O)[C@H]([C@H]1O)n1cc(nn1)-c1c(F)c(F)c(F)c(F)c1F)S(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H14Cl2F5N3O5S/c21-7-2-1-6(3-8(7)22)36(34)20-19(33)17(18(32)10(5-31)35-20)30-4-9(28-29-30)11-12(23)14(25)16(27)15(26)13(11)24/h1-4,10,17-20,31-33H,5H2/t10?,17-,18-,19?,20+,36?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a
Galecto Biotech AB US Patent					Assay Description The affinity of Example 1-106 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the int...				US Patent US10774102 (2020) BindingDB Entry DOI: 10.7270/Q20P133G
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50247476 (CHEMBL4091143) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cccc(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C28H30F2N6O8S2/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-46-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-[4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl]-...				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50247479 (CHEMBL4104417) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r| Show InChI InChI=1S/C28H26F6N6O8S2/c29-11-1-9(2-12(30)19(11)33)15-5-39(37-35-15)21-23(43)17(7-41)47-27(25(21)45)49-50-28-26(46)22(24(44)18(8-42)48-28)40-6-16(36-38-40)10-3-13(31)20(34)14(32)4-10/h1-6,17-18,21-28,41-46H,7-8H2/t17-,18-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxybenzamido)-1,1'-sulfanediyl-di-beta-...				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50247476 (CHEMBL4091143) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cccc(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C28H30F2N6O8S2/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-46-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxybenzamido)-1,1'-sulfanediyl-di-beta-...				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50247482 (CHEMBL4065371) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(F)cc2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H30F2N6O8S2/c29-15-5-1-13(2-6-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-46-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-3-7-16(30)8-4-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-[4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl]-...				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50247477 (CHEMBL4102995) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(F)c(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C28H28F4N6O8S2/c29-13-3-1-11(5-15(13)31)17-7-37(35-33-17)21-23(41)19(9-39)45-27(25(21)43)47-48-28-26(44)22(24(42)20(10-40)46-28)38-8-18(34-36-38)12-2-4-14(30)16(32)6-12/h1-8,19-28,39-44H,9-10H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Binding affinity to human galectin 3 C-terminal domain expressed in Escherichia coli BL21(DE3) by competitive isothermal titration calorimetric analy...				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50591134 (CHEMBL5181494) Show SMILES [H][C@]1(O[C@H](C)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00660 BindingDB Entry DOI: 10.7270/Q2V69PJ9
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM468294 (3,3′-Dideoxy-3-[4-(3,4,5-trifluorophenyl)-1H...) Show SMILES OC[C@H]1OC(S[C@@H]2OC(CO)[C@H](O)[C@@H](C2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)[C@H](O)C(C1O)n1cc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C28H29F3N6O8S/c29-14-6-13(7-15(30)20(14)31)17-9-37(35-33-17)22-24(41)19(11-39)45-28(26(22)43)46-27-25(42)21(23(40)18(10-38)44-27)36-8-16(32-34-36)12-4-2-1-3-5-12/h1-9,18-19,21-28,38-43H,10-11H2/t18-,19?,21?,22+,23?,24+,25-,26?,27?,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The affinity of compounds S8a-c, S11, S16, S20a-b and S21 for galectins were determined by a fluorescence anisotropy assay where the compound was use...				US Patent US10800804 (2020) BindingDB Entry DOI: 10.7270/Q2H70JWZ
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM468296 (3,3′-dideoxy-3,3′-di-[4-(3,4-difluorop...) Show SMILES OCC1O[C@@H](SC2O[C@H](CO)C(O)C([C@H]2O)n2cc(nn2)-c2ccc(F)c(F)c2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C28H28F4N6O8S/c29-13-3-1-11(5-15(13)31)17-7-37(35-33-17)21-23(41)19(9-39)45-27(25(21)43)47-28-26(44)22(24(42)20(10-40)46-28)38-8-18(34-36-38)12-2-4-14(30)16(32)6-12/h1-8,19-28,39-44H,9-10H2/t19-,20?,21?,22+,23?,24+,25-,26?,27?,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The affinity of compounds 3a-c for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the in...				US Patent US10800804 (2020) BindingDB Entry DOI: 10.7270/Q2H70JWZ
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50247478 (CHEMBL4066068) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)cc(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C28H28F4N6O8S2/c29-13-1-11(2-14(30)5-13)17-7-37(35-33-17)21-23(41)19(9-39)45-27(25(21)43)47-48-28-26(44)22(24(42)20(10-40)46-28)38-8-18(34-36-38)12-3-15(31)6-16(32)4-12/h1-8,19-28,39-44H,9-10H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Binding affinity to human galectin 3 C-terminal domain expressed in Escherichia coli BL21(DE3) by competitive isothermal titration calorimetric analy...				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50247480 (CHEMBL4064035) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)[C@H](O)[C@@H](OCc2cc3c(F)c(F)ccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C30H28F5N3O11S2/c31-13-1-2-17-12(20(13)34)3-11(28(45)47-17)9-46-27-24(42)19(8-40)49-30(26(27)44)51-50-29-25(43)22(23(41)18(7-39)48-29)38-6-16(36-37-38)10-4-14(32)21(35)15(33)5-10/h1-6,18-19,22-27,29-30,39-44H,7-9H2/t18-,19-,22+,23+,24+,25-,26-,27+,29+,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-[4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl]-...				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50247482 (CHEMBL4065371) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(F)cc2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H30F2N6O8S2/c29-15-5-1-13(2-6-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-46-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-3-7-16(30)8-4-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxybenzamido)-1,1'-sulfanediyl-di-beta-...				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM455403 (3,3′-Dideoxy-3-[4-(piperidin-4-yl)-1H-1,2,3-...) Show SMILES OC[C@H]1OC(S[C@@H]2OC(CO)[C@H](O)[C@@H](C2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)[C@H](O)C(C1O)n1cc(nn1)N1CCNCC1 |r| Show InChI InChI=1S/C26H33F3N8O8S/c27-12-5-11(6-13(28)18(12)29)14-7-36(33-31-14)19-21(40)15(9-38)44-25(23(19)42)46-26-24(43)20(22(41)16(10-39)45-26)37-8-17(32-34-37)35-3-1-30-2-4-35/h5-8,15-16,19-26,30,38-43H,1-4,9-10H2/t15?,16-,19+,20?,21+,22?,23?,24-,25+,26?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
GALECTO BIOTECH AB US Patent					Assay Description The affinity of Example 1-5 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the inter...				US Patent US10730902 (2020) BindingDB Entry DOI: 10.7270/Q2VD72HQ
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM572517 (5-Bromo-2-(N-azetidinylcarbamoyl)-3-pyridyl 3-deox...) Show SMILES COC1[C@H](OC(CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(F)c(F)c1)Sc1cc(Br)cnc1C(=O)N1CCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-71 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the inte...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QN6B1J
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM572496 (2-(N-azetidinyl-carbonyl)-5-chlorophenyl 3-deoxy-3...) Show SMILES COC1[C@H](OC(CO)[C@H](O)[C@@H]1n1cc(nn1)-c1ccc(C)c(F)c1)Sc1cc(Cl)ccc1C(=O)N1CCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-71 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the inte...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QN6B1J
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM468291 (3,3′-Dideoxy-3′-[4-(3-fluorophenyl)-1H...) Show SMILES COc1c(F)c(F)c(C(=O)N[C@H]2[C@@H](O)C(CO)O[C@@H](S[C@H]3O[C@H](CO)C(O)C(C3OC(C)=O)n3cc(nn3)-c3cccc(F)c3)C2O)c(F)c1F |r| Show InChI InChI=1S/C30H31F5N4O11S/c1-10(42)48-27-22(39-7-13(37-38-39)11-4-3-5-12(31)6-11)24(44)15(9-41)50-30(27)51-29-25(45)21(23(43)14(8-40)49-29)36-28(46)16-17(32)19(34)26(47-2)20(35)18(16)33/h3-7,14-15,21-25,27,29-30,40-41,43-45H,8-9H2,1-2H3,(H,36,46)/t14?,15-,21+,22?,23+,24?,25?,27?,29+,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The affinity of compounds S8a-c, S11, S16, S20a-b and S21 for galectins were determined by a fluorescence anisotropy assay where the compound was use...				US Patent US10800804 (2020) BindingDB Entry DOI: 10.7270/Q2H70JWZ
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM455402 (3,3′-Dideoxy-3-[4-(4-methylpiperazin-1-yl)-1...) Show SMILES CN1CCN(CC1)c1cn(nn1)C1C(O)[C@@H](CO)OC(S[C@@H]2OC(CO)[C@H](O)[C@@H](C2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)[C@@H]1O |r| Show InChI InChI=1S/C27H35F3N8O8S/c1-35-2-4-36(5-3-35)18-9-38(34-32-18)21-23(42)17(11-40)46-27(25(21)44)47-26-24(43)20(22(41)16(10-39)45-26)37-8-15(31-33-37)12-6-13(28)19(30)14(29)7-12/h6-9,16-17,20-27,39-44H,2-5,10-11H2,1H3/t16?,17-,20+,21?,22+,23?,24?,25-,26+,27?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a
GALECTO BIOTECH AB US Patent					Assay Description The affinity of Example 1-5 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the inter...				US Patent US10730902 (2020) BindingDB Entry DOI: 10.7270/Q2VD72HQ
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM572516 (5-Bromo-2-(N-azetidinylcarbamoyl)-3-pyridyl 3-[4-(...) Show SMILES COC1[C@H](OC(CO)[C@H](O)[C@@H]1n1cc(nn1)-c1ccc(Cl)c(F)c1)Sc1cc(Br)cnc1C(=O)N1CCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-71 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the inte...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QN6B1J
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM572518 (5-Bromo-2-(N-azetidinylcarbamoyl)-3-pyridyl 3-[4-(...) Show SMILES CCOC1[C@H](OC(CO)[C@H](O)[C@@H]1n1cc(nn1)-c1ccc(Cl)c(F)c1)Sc1cc(Br)cnc1C(=O)N1CCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-71 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the inte...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QN6B1J
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM572462 (4-Chloro-N,N- dimethyl-benzamide-2- yl 3-deoxy-3...) Show SMILES COC1[C@H](OC(CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(F)c(F)c1)Sc1cc(Cl)ccc1C(=O)N(C)C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-71 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the inte...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QN6B1J
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50247475 (CHEMBL4071878) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(CNC(=O)c2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)nn1 |r| Show InChI InChI=1S/C44H38F3N7O14S2/c45-26-8-18(9-27(46)33(26)47)28-14-54(52-50-28)35-37(60)32(16-56)67-43(39(35)62)70-69-42-38(61)34(36(59)31(15-55)66-42)53-13-19(49-51-53)12-48-40(63)17-1-4-23-22(7-17)41(64)68-44(23)24-5-2-20(57)10-29(24)65-30-11-21(58)3-6-25(30)44/h1-11,13-14,31-32,34-39,42-43,55-62H,12,15-16H2,(H,48,63)/t31-,32-,34+,35+,36+,37+,38-,39-,42+,43+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Binding affinity to human galectin-3 expressed in Escherichia coli BL21(DE3) in presence of BSA by direct fluorescence polarization titration assay				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50247476 (CHEMBL4091143) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cccc(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C28H30F2N6O8S2/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-46-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Binding affinity to human galectin 3 C-terminal domain expressed in Escherichia coli BL21(DE3) by competitive isothermal titration calorimetric analy...				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM572521 (5-Chloro-2-(N-azetidinylcarbamoyl)-3-pyridyl 3-[4-...) Show SMILES COC1[C@H](OC(CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(F)c(F)c1)Sc1cc(Cl)cnc1C(=O)N1CCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-71 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the inte...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QN6B1J
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM461829 (3,4-Dichlorophenyl 3-deoxy-3-[4-(3,4,5-trifluoroph...) Show SMILES OCC1O[C@@H](C(O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1)S(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H16Cl2F3N3O5S/c21-10-2-1-9(5-11(10)22)34(32)20-19(31)17(18(30)15(7-29)33-20)28-6-14(26-27-28)8-3-12(23)16(25)13(24)4-8/h1-6,15,17-20,29-31H,7H2/t15?,17-,18-,19?,20+,34?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
Galecto Biotech AB US Patent					Assay Description The affinity of Example 1-106 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the int...				US Patent US10774102 (2020) BindingDB Entry DOI: 10.7270/Q20P133G
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM560352 (3,4-Dichlorophenyl 3-deoxy-3-[4-(3,4,5-trifluoroph...) Show SMILES OCC1O[C@@H]([C@@H](O)C([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1)S(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assay was adapted to be able to measure the high affinity of compounds for galectin-3 by using the below probe constructed to have high affinity ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T72MPN
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM572524 (5-Chloro-2-(N-azetidinylcarbamoyl)-3-pyridyl 3-[4-...) Show SMILES CCOC1[C@H](OC(CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(Cl)c(F)c1)Sc1cc(Cl)cnc1C(=O)N1CCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-71 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the inte...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QN6B1J
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50247480 (CHEMBL4064035) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)[C@H](O)[C@@H](OCc2cc3c(F)c(F)ccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C30H28F5N3O11S2/c31-13-1-2-17-12(20(13)34)3-11(28(45)47-17)9-46-27-24(42)19(8-40)49-30(26(27)44)51-50-29-25(43)22(23(41)18(7-39)48-29)38-6-16(36-37-38)10-4-14(32)21(35)15(33)5-10/h1-6,18-19,22-27,29-30,39-44H,7-9H2/t18-,19-,22+,23+,24+,25-,26-,27+,29+,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Binding affinity to human galectin 3 C-terminal domain expressed in Escherichia coli BL21(DE3) by competitive isothermal titration calorimetric analy...				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM478066 (5-Chloro-2-cyano-3-pyridyl 3-deoxy-3-[4-(4-chloro-...) Show SMILES OCC1O[C@H](Sc2cc(Cl)cnc2C#N)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(Cl)c(F)c1 |r| Show InChI InChI=1S/C20H15Cl2F2N5O4S/c21-9-3-15(12(4-25)26-5-9)34-20-19(32)17(18(31)14(7-30)33-20)29-6-13(27-28-29)8-1-10(23)16(22)11(24)2-8/h1-3,5-6,14,17-20,30-32H,7H2/t14?,17-,18-,19?,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
GALECTO BIOTECH AB US Patent					Assay Description The affinity of Example 1-22 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the inte...				US Patent US10889610 (2021) BindingDB Entry DOI: 10.7270/Q2BK1GG1
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM478064 (5-Bromo-2-cyano-3-pyridyl 3-deoxy-3-[4-(4-chloro-3...) Show SMILES OCC1O[C@H](Sc2cc(Br)cnc2C#N)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(Cl)c(F)c1 |r| Show InChI InChI=1S/C20H15BrClF2N5O4S/c21-9-3-15(12(4-25)26-5-9)34-20-19(32)17(18(31)14(7-30)33-20)29-6-13(27-28-29)8-1-10(23)16(22)11(24)2-8/h1-3,5-6,14,17-20,30-32H,7H2/t14?,17-,18-,19?,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
GALECTO BIOTECH AB US Patent					Assay Description The affinity of Example 1-22 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the inte...				US Patent US10889610 (2021) BindingDB Entry DOI: 10.7270/Q2BK1GG1
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM572468 (5-Chloro-2-cyanopyridin-3-yl 3-deoxy-3-[4-(3,5-dif...) Show SMILES COC1[C@H](OC(CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(C)c(F)c1)Sc1cc(Cl)cnc1[N+]#[C-] |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-71 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the inte...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QN6B1J
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM572525 (2-(N-azetidinyl-carbonyl)-5-chlorophenyl 3-deoxy-3...) Show SMILES COC1[C@H](OC(CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(F)c(F)c1)Sc1cc(Cl)ccc1C(=O)N1CCC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-71 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the inte...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QN6B1J
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM461858 (3,4-Dichlorophenyl 3-deoxy-3-[4-(2,3,4,5,6-pentafl...) Show SMILES OCC1O[C@@H](C(O)[C@H]([C@H]1O)n1cc(nn1)-c1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H14Cl2F5N3O6S/c21-7-2-1-6(3-8(7)22)37(34,35)20-19(33)17(18(32)10(5-31)36-20)30-4-9(28-29-30)11-12(23)14(25)16(27)15(26)13(11)24/h1-4,10,17-20,31-33H,5H2/t10?,17-,18-,19?,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
Galecto Biotech AB US Patent					Assay Description The affinity of Example 1-106 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the int...				US Patent US10774102 (2020) BindingDB Entry DOI: 10.7270/Q20P133G
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM560381 (3,4-Dichlorophenyl 3-deoxy-3-[4-(2,3,4,5,6-pentafl...) Show SMILES OCC1O[C@@H]([C@@H](O)C([C@H]1O)n1cc(nn1)-c1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assay was adapted to be able to measure the high affinity of compounds for galectin-3 by using the below probe constructed to have high affinity ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2T72MPN
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM572463 (4-Chloro-N,N-dimethyl-benzamide-2-yl 3-[4-(4-chlor...) Show SMILES COC1[C@H](OC(CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(Cl)c(F)c1)Sc1cc(Cl)ccc1C(=O)N(C)C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-71 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the inte...				Citation and Details BindingDB Entry DOI: 10.7270/Q2QN6B1J
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 656 total )  |  Next  |  Last  >>

Jump to: