Compile Data Set for Download or QSAR

Found 214 hits of kd data for polymerid = 2166   

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
Galectin-1 (Homo sapiens (Human))	BDBM508740 (5-Chloro-2-cyano-3-pyridyl 3-deoxy-3-[4-(2-hydroxy...) Show SMILES OCC1O[C@H](Sc2cc(Cl)cnc2C#N)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1csc(O)n1 |r| Show InChI	PDB MMDB NCI 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 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	<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-dimethoxy-benzamido)-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-1 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	12	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-dimethoxy-benzamido)-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-1 (Homo sapiens (Human))	BDBM50425519 (CHEMBL2313626) Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cccc(O)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cccc(O)c1 |r| Show InChI InChI=1S/C28H32N6O10S/c35-11-19-23(39)21(33-9-17(29-31-33)13-3-1-5-15(37)7-13)25(41)27(43-19)45-28-26(42)22(24(40)20(12-36)44-28)34-10-18(30-32-34)14-4-2-6-16(38)8-14/h1-10,19-28,35-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Binding affinity to galectin-1 (unknown origin) by fluorescence polarization assay				J Med Chem 56: 1350-4 (2013) Article DOI: 10.1021/jm301677r BindingDB Entry DOI: 10.7270/Q2NK3GBS
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM508751 (3,4-Dichloro-6-fluoro-phenyl 3-deoxy-3-[4-(2-hydro...) Show SMILES OCC1O[C@H](Sc2cc(Cl)c(Cl)cc2F)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1csc(O)n1 |r| Show InChI	PDB MMDB NCI 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 affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM508739 (5-Bromo-6-cyano-3-pyridyl 3-deoxy-3-[4-(2-hydroxyt...) Show SMILES OCC1O[C@H](Sc2cnc(C#N)c(Br)c2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1csc(O)n1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM508742 (3,5-Dichloro-4-fluoro-phenyl 3-deoxy-3-[4-(2-hydro...) Show SMILES OCC1O[C@H](Sc2cc(Cl)c(F)c(Cl)c2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1csc(O)n1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	27	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-dimethoxy-benzamido)-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-1 (Homo sapiens (Human))	BDBM508741 (5-Chloro-6-trifluoromethyl-pyridin-3-yl 3-deoxy-3-...) Show SMILES OCC1O[C@H](Sc2cnc(c(Cl)c2)C(F)(F)F)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1csc(O)n1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	29	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-1 (Homo sapiens (Human))	BDBM508746 (5-Bromo-6-trifluoromethyl-3-pyridyl 3-deoxy-3-[4-(...) Show SMILES OCC1O[C@H](Sc2cnc(c(Br)c2)C(F)(F)F)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1csc(O)n1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM508738 (5-Bromo-2-cyano-pyridine-3-yl 3-deoxy-3-[4-(2-hydr...) Show SMILES OCC1O[C@H](Sc2cc(Br)cnc2C#N)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1csc(O)n1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	35	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-1 (Homo sapiens (Human))	BDBM508737 (5-Chloro-6-cyano-pyridine-3-yl 3-deoxy-3-[4-(2-hyd...) Show SMILES OCC1O[C@H](Sc2cnc(Cl)c(Cl)c2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1csc(O)n1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM508752 (4-Chloro-N,N′-dimethylbenzamide-2-yl 3-deoxy...) Show SMILES CN(C)C(=O)c1ccc(Cl)cc1S[C@H]1OC(CO)[C@H](O)[C@@H](C1O)n1cc(nn1)-c1csc(O)n1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM508749 (2-carboxy-5-chloropyridyl 3-deoxy-3-[4-(2-hydroxyt...) Show SMILES OCC1O[C@H](Sc2cc(Cl)cnc2C(O)=O)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1csc(O)n1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM50425520 (CHEMBL2313627) Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccccc2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C28H32N6O8S/c35-13-19-23(37)21(33-11-17(29-31-33)15-7-3-1-4-8-15)25(39)27(41-19)43-28-26(40)22(24(38)20(14-36)42-28)34-12-18(30-32-34)16-9-5-2-6-10-16/h1-12,19-28,35-40H,13-14H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a
Utrecht University Curated by ChEMBL					Assay Description Binding affinity to galectin-1 (unknown origin) by fluorescence polarization assay				J Med Chem 56: 1350-4 (2013) Article DOI: 10.1021/jm301677r BindingDB Entry DOI: 10.7270/Q2NK3GBS
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM508744 (3,5-dibromo-4-fluorophenyl 3-deoxy-3-[4-(2-hydroxy...) Show SMILES OCC1O[C@H](Sc2cc(Br)c(F)c(Br)c2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1csc(O)n1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM508753 (5-Chloro-N,N′-dimethyl-picolinamide-3-yl 3-d...) Show SMILES CN(C)C(=O)c1ncc(Cl)cc1S[C@H]1OC(CO)[C@H](O)[C@@H](C1O)n1cc(nn1)-c1csc(O)n1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM508743 (3,4,5-trichlorophenyl 3-deoxy-3-[4-(2-hydroxythiaz...) Show SMILES OCC1O[C@H](Sc2cc(Cl)c(Cl)c(Cl)c2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1csc(O)n1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	58	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-1 (Homo sapiens (Human))	BDBM508736 (3,4-Dichlorophenyl 3-deoxy-3-[4-(2-hydroxythiazol-...) Show SMILES OCC1O[C@H](Sc2ccc(Cl)c(Cl)c2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1csc(O)n1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	60	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-1 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	60	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-1 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	63	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-dimethoxy-benzamido)-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-1 (Homo sapiens (Human))	BDBM508745 (3-Bromo-4-cyanophenyl 3-deoxy-3-[4-(2-hydroxythiaz...) Show SMILES OCC1O[C@H](Sc2ccc(C#N)c(Br)c2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1csc(O)n1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	66	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-1 (Homo sapiens (Human))	BDBM508733 (5-Bromo-6-cyano-3-pyridyl 3-[4-(4-chlorothiazol-2-...) Show SMILES OCC1O[C@H](Sc2cnc(C#N)c(Br)c2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1nc(Cl)cs1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	69	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-dimethoxy-benzamido)-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-1 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	70	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-1 (Homo sapiens (Human))	BDBM508747 (3-Chloro-4-trifluoromethylphenyl 3-deoxy-3-[4-(2-h...) Show SMILES OCC1O[C@H](Sc2ccc(c(Cl)c2)C(F)(F)F)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1csc(O)n1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	77	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-1 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	78	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-1 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	79	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-1 (Homo sapiens (Human))	BDBM508748 (3-Chloro-4-methylphenyl 3-deoxy-3-[4-(2-hydroxythi...) Show SMILES Cc1ccc(S[C@H]2OC(CO)[C@H](O)[C@@H](C2O)n2cc(nn2)-c2csc(O)n2)cc1Cl |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM508731 (5-Bromo-2-cyano-pyridine-3-yl 3-[4-(4-chlorothiazo...) Show SMILES OCC1O[C@H](Sc2cc(Br)cnc2C#N)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1nc(Cl)cs1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	90	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-1 (Homo sapiens (Human))	BDBM508732 (5-Chloro-2-cyano-pyridine-3-yl 3-[4-(4-chlorothiaz...) Show SMILES OCC1O[C@H](Sc2cc(Cl)cnc2C#N)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1nc(Cl)cs1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM508730 (5-Chloro-6-cyano-pyridine-3-yl 3-[4-(4-chlorothiaz...) Show SMILES OCC1O[C@H](Sc2cnc(C#N)c(Cl)c2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1nc(Cl)cs1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM508728 (5-Bromo-6-trifluoromethyl-pyridine-3-yl 3-[4-(4-ch...) Show SMILES OCC1O[C@H](Sc2cnc(c(Br)c2)C(F)(F)F)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1nc(Cl)cs1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	110	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-1 (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 NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	110	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-1 (Homo sapiens (Human))	BDBM494863 (3,4-Dichlorophenyl 3-deoxy-3-[4-(4-chloro-thiazol-...) Show SMILES OCC1O[C@H](S\C(\C=C\Cl)=C\C=C\Cl)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1nc(Cl)cs1 |r| Show InChI InChI=1S/C17H17Cl3N4O4S2/c18-4-1-2-9(3-5-19)30-17-15(27)13(14(26)11(7-25)28-17)24-6-10(22-23-24)16-21-12(20)8-29-16/h1-6,8,11,13-15,17,25-27H,7H2/b4-1+,5-3+,9-2+/t11?,13-,14-,15?,17+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a
GALECTO BIOTECH AB US Patent					Assay Description Compounds for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the interaction between gal...				US Patent US10988502 (2021) BindingDB Entry DOI: 10.7270/Q2222XWH
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM494606 (3,4-Dichlorophenyl 3-deoxy-3-[4-(3-thiophenyl)-1H-...) Show SMILES OCC1O[C@H](Sc2ccc(Cl)c(Cl)c2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1ccsc1 |r| Show InChI InChI=1S/C18H17Cl2N3O4S2/c19-11-2-1-10(5-12(11)20)29-18-17(26)15(16(25)14(7-24)27-18)23-6-13(21-22-23)9-3-4-28-8-9/h1-6,8,14-18,24-26H,7H2/t14?,15-,16-,17?,18+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a
GALECTO BIOTECH AB US Patent					Assay Description Compounds for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the interaction between gal...				US Patent US10988502 (2021) BindingDB Entry DOI: 10.7270/Q2222XWH
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM494861 (3,4-dichlorophenyl 3-deoxy-3-[4-(4-bromo-2-thiazol...) Show SMILES OCC1O[C@H](Sc2ccc(Cl)c(Cl)c2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1nc(Br)cs1 |r| Show InChI InChI=1S/C17H15BrCl2N4O4S2/c18-12-6-29-16(21-12)10-4-24(23-22-10)13-14(26)11(5-25)28-17(15(13)27)30-7-1-2-8(19)9(20)3-7/h1-4,6,11,13-15,17,25-27H,5H2/t11?,13-,14-,15?,17+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a
GALECTO BIOTECH AB US Patent					Assay Description Compounds for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the interaction between gal...				US Patent US10988502 (2021) BindingDB Entry DOI: 10.7270/Q2222XWH
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM508729 (5-Bromo-6-trifluoromethyl-pyridine-3-yl 3-[4-(4-br...) Show SMILES OCC1O[C@H](Sc2cnc(c(Br)c2)C(F)(F)F)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1nc(Br)cs1 |r| Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The affinity of Example 1-33 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/Q25142CS
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM494644 (5-Bromo-6-trifluoromethyl-pyridin-3-yl 3-deoxy-3-[...) Show SMILES OCC1O[C@H](Sc2cnc(c(Br)c2)C(F)(F)F)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1cscn1 |r| Show InChI InChI=1S/C17H15BrF3N5O4S2/c18-8-1-7(2-22-15(8)17(19,20)21)32-16-14(29)12(13(28)11(4-27)30-16)26-3-9(24-25-26)10-5-31-6-23-10/h1-3,5-6,11-14,16,27-29H,4H2/t11?,12-,13-,14?,16+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a
GALECTO BIOTECH AB US Patent					Assay Description Compounds for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the interaction between gal...				US Patent US10988502 (2021) BindingDB Entry DOI: 10.7270/Q2222XWH
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM494607 (2-Chloro-5-fluoro-benzonitril-4-yl 3-deoxy-3-[4-(3...) Show SMILES OCC1O[C@H](Sc2cc(Cl)c(cc2F)C#N)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1ccsc1 |r| Show InChI InChI=1S/C19H16ClFN4O4S2/c20-11-4-15(12(21)3-10(11)5-22)31-19-18(28)16(17(27)14(7-26)29-19)25-6-13(23-24-25)9-1-2-30-8-9/h1-4,6,8,14,16-19,26-28H,7H2/t14?,16-,17-,18?,19+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a
GALECTO BIOTECH AB US Patent					Assay Description Compounds for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the interaction between gal...				US Patent US10988502 (2021) BindingDB Entry DOI: 10.7270/Q2222XWH
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM494854 (5-Bromo-2-cyano-pyridine-3-yl 3-deoxy-3-[4-(2-thia...) Show SMILES OCC1O[C@H](Sc2cc(Br)cnc2[N+]#[C-])C(O)[C@H]([C@H]1O)n1cc(nn1)-c1nccs1 |r| Show InChI InChI=1S/C17H15BrN6O4S2/c1-19-15-11(4-8(18)5-21-15)30-17-14(27)12(13(26)10(7-25)28-17)24-6-9(22-23-24)16-20-2-3-29-16/h2-6,10,12-14,17,25-27H,7H2/t10?,12-,13-,14?,17+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
GALECTO BIOTECH AB US Patent					Assay Description Compounds for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the interaction between gal...				US Patent US10988502 (2021) BindingDB Entry DOI: 10.7270/Q2222XWH
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM494853 (5-Chloropyridin-3-yl 3-deoxy-3-[4-(2-thiazolyl)-1H...) Show SMILES OCC1O[C@H](Sc2cncc(Cl)c2)C(O)[C@H]([C@H]1O)n1cc(nn1)-c1nccs1 |r| Show InChI InChI=1S/C16H16ClN5O4S2/c17-8-3-9(5-18-4-8)28-16-14(25)12(13(24)11(7-23)26-16)22-6-10(20-21-22)15-19-1-2-27-15/h1-6,11-14,16,23-25H,7H2/t11?,12-,13-,14?,16+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a
GALECTO BIOTECH AB US Patent					Assay Description Compounds for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the interaction between gal...				US Patent US10988502 (2021) BindingDB Entry DOI: 10.7270/Q2222XWH
					More data for this Ligand-Target Pair

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