BDBM50509541 CHEMBL4538912

SMILES: CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](Nc2ccc(F)c(F)c2)[C@H]1O

InChI Key: InChIKey=IFOPJPSUWILUOL-UJPOAAIJSA-N

Data: 2 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50509541   

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-9 (Homo sapiens (Human))	BDBM50509541 (CHEMBL4538912) Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](Nc2ccc(F)c(F)c2)[C@H]1O |r| Show InChI InChI=1S/C13H17F2NO5/c1-20-13-12(19)10(11(18)9(5-17)21-13)16-6-2-3-7(14)8(15)4-6/h2-4,9-13,16-19H,5H2,1H3/t9-,10-,11+,12-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10E+6	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Binding affinity at recombinant human N-terminal Galectin 9 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay				ACS Med Chem Lett 11: 34-39 (2020) Article DOI: 10.1021/acsmedchemlett.9b00396
					More data for this Ligand-Target Pair
Galectin-1 (Homo sapiens (Human))	BDBM50509541 (CHEMBL4538912) Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](Nc2ccc(F)c(F)c2)[C@H]1O |r| Show InChI InChI=1S/C13H17F2NO5/c1-20-13-12(19)10(11(18)9(5-17)21-13)16-6-2-3-7(14)8(15)4-6/h2-4,9-13,16-19H,5H2,1H3/t9-,10-,11+,12-,13-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.80E+6	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Binding affinity at recombinant human Galectin 1 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay				ACS Med Chem Lett 11: 34-39 (2020) Article DOI: 10.1021/acsmedchemlett.9b00396
					More data for this Ligand-Target Pair