null

SMILES: Cc1c(NC(=O)CCc2cc(O)c(O)c(O)c2)cccc1C(O)=O

InChI Key: InChIKey=ZJJCGXHVYXDZNP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50205400   

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
L-selectin (Homo sapiens (Human))	BDBM50205400 (2-methyl-3-[3-(3,4,5-trihydroxy-phenyl)-propionyla...) Show SMILES Cc1c(NC(=O)CCc2cc(O)c(O)c(O)c2)cccc1C(O)=O Show InChI InChI=1S/C17H17NO6/c1-9-11(17(23)24)3-2-4-12(9)18-15(21)6-5-10-7-13(19)16(22)14(20)8-10/h2-4,7-8,19-20,22H,5-6H2,1H3,(H,18,21)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human L-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50205400 (2-methyl-3-[3-(3,4,5-trihydroxy-phenyl)-propionyla...) Show SMILES Cc1c(NC(=O)CCc2cc(O)c(O)c(O)c2)cccc1C(O)=O Show InChI InChI=1S/C17H17NO6/c1-9-11(17(23)24)3-2-4-12(9)18-15(21)6-5-10-7-13(19)16(22)14(20)8-10/h2-4,7-8,19-20,22H,5-6H2,1H3,(H,18,21)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human E-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50205400 (2-methyl-3-[3-(3,4,5-trihydroxy-phenyl)-propionyla...) Show SMILES Cc1c(NC(=O)CCc2cc(O)c(O)c(O)c2)cccc1C(O)=O Show InChI InChI=1S/C17H17NO6/c1-9-11(17(23)24)3-2-4-12(9)18-15(21)6-5-10-7-13(19)16(22)14(20)8-10/h2-4,7-8,19-20,22H,5-6H2,1H3,(H,18,21)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Revotar Biopharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human P-selectin after 2 hrs				J Med Chem 50: 1101-15 (2007) Article DOI: 10.1021/jm060536g BindingDB Entry DOI: 10.7270/Q2TB17Q6
					More data for this Ligand-Target Pair