Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'shukla' and Initial = 'jk'   

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-3 (Homo sapiens (Human))	BDBM50581785 (CHEMBL5081052) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1nccs1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM541746 (US11267811, Example A78) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(Br)c(F)c2F)n(n1)-c1cc(Cl)ccc1C(F)(F)F |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	6.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM541728 (US11267811, Example A58) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(Cl)c(F)c2F)n(n1)-c1cc(Cl)ccc1C(F)(F)F |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	9.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581762 (GB-0139 | GB0139 | OLITIGALTIN | Olitigaltin | TD-...) 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(F)c2)[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	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Galectin-3 (Homo sapiens (Human))	BDBM50581778 (CHEMBL5090468) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cnc(OC)nc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM541639 (US11267811, Example 250) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(Cl)c(F)c2)n(n1)-c1cc(Cl)ccc1C(F)(F)F |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	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581782 (CHEMBL5093414) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(n1)C(=O)OC)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581775 (CHEMBL5087430) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cnccn1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581774 (CHEMBL5091613) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cncnc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Galectin-3 (Homo sapiens (Human))	BDBM50594519 (CHEMBL5206873) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(Cl)c(F)c2)n(n1)-c1cc(Cl)ccc1C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Galectin-3 (Homo sapiens (Human))	BDBM50581779 (CHEMBL5092373) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1ncc(F)cn1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581772 (CHEMBL5076024) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1ccccn1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581783 (CHEMBL5087660) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1nccc(N)n1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM541721 (US11267811, Example A51) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(Cl)c2)n(n1)-c1cc(Cl)ccc1C(F)(F)F |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	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM541676 (US11267811, Example A6) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)n(n1)-c1cc(Cl)ccc1C(F)(F)F |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	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581773 (CHEMBL5081775) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1ncccn1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581777 (CHEMBL5093408) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1ncc(OC)cn1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581787 (CHEMBL5076553) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)C1CCOCC1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581784 (CHEMBL5074202) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1nccc(NC(C)=O)n1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581776 (CHEMBL5075458) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1ccc(OC)nc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581771 (CHEMBL5081635) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(NC(C)=O)c1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM541474 (US11267811, Example 68) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)n(n1)-c1cc(Cl)ccc1Br |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	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM541468 (US11267811, Example 62) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)n(n1)-c1cc(Cl)ccc1C |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	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581770 (CHEMBL5086496) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(N)c1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM541698 (US11267811, Example A28) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(Br)c(F)c2)n(n1)-c1cc(Cl)ccc1C(F)(F)F |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	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581789 (CHEMBL5080440) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cncnc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(Cl)c(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	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM541726 (US11267811, Example A56) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c3ccccc3c2)n(n1)-c1cc(Cl)ccc1C(F)(F)F |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	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581781 (CHEMBL5093807) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1ccnc(Cl)c1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM541697 (US11267811, Example A27) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(Br)c(F)c2)n(n1)-c1cc(Cl)ccc1C(F)(F)F |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	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581769 (CHEMBL5093100) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cccc(O)c1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM541464 (US11267811, Example 58) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)n(n1)-c1cc(Cl)ccc1Cl |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	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581764 (CHEMBL5091374) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1ccccc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581780 (CHEMBL5069594) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cnc(nc1)C(F)(F)F)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Mus musculus)	BDBM541746 (US11267811, Example A78) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(Br)c(F)c2F)n(n1)-c1cc(Cl)ccc1C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581786 (CHEMBL5080579) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)C1CCCCC1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(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	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM541467 (US11267811, Example 61) Show SMILES COc1ccc(Cl)cc1-n1nc(C)nc1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(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	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581774 (CHEMBL5091613) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cncnc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Gal3-induced chemotaxis using human monocyte incubated for 4 hrs by calcein-AM dye based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Galectin-3 (Homo sapiens (Human))	BDBM541466 (US11267811, Example 60) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)n(n1)-c1cc(Cl)ccc1F |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	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Mus musculus)	BDBM50581762 (GB-0139 | GB0139 | OLITIGALTIN | Olitigaltin | TD-...) 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(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Galectin-3 (Homo sapiens (Human))	BDBM50594515 (CHEMBL5183613) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1)c1nncn1-c1cccc(Cl)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	73	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM541689 (US11267811, Example A19) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)n(n1)-c1cc(Cl)cc(Cl)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	73	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Mus musculus)	BDBM541728 (US11267811, Example A58) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(Cl)c(F)c2F)n(n1)-c1cc(Cl)ccc1C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Mus musculus)	BDBM50581785 (CHEMBL5081052) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1nccs1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50581762 (GB-0139 | GB0139 | OLITIGALTIN | Olitigaltin | TD-...) 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(F)c2)[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	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Gal3-induced chemotaxis using human monocyte incubated for 4 hrs by calcein-AM dye based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Galectin-3 (Homo sapiens (Human))	BDBM50581790 (CHEMBL5094706) Show SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cncnc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1ccc(Br)c(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	108	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02001 BindingDB Entry DOI: 10.7270/Q23X8BJ6
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM541688 (US11267811, Example A18) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)n(n1)-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	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50594516 (CHEMBL5191817) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)c(F)c(F)c1)c1ncnn1-c1cccc(Cl)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	111	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Mus musculus)	BDBM541697 (US11267811, Example A27) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(Br)c(F)c2)n(n1)-c1cc(Cl)ccc1C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Mus musculus)	BDBM541639 (US11267811, Example 250) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(Cl)c(F)c2)n(n1)-c1cc(Cl)ccc1C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair
Galectin-3 (Mus musculus)	BDBM50594519 (CHEMBL5206873) Show SMILES Cc1nc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(Cl)c(F)c2)n(n1)-c1cc(Cl)ccc1C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00517 BindingDB Entry DOI: 10.7270/Q2DR30HS
					More data for this Ligand-Target Pair				3D Structure (crystal)

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