BDBM50111451 2-[2-(3,4,5-Trihydroxy-6-{[2-(1-phenyl-ethylcarbamoyl)-benzoylamino]-methyl}-tetrahydro-pyran-2-yl)-acetylamino]-pentanedioic acid::CHEMBL288811

SMILES: C[C@@H](NC(=O)c1ccccc1C(=O)NCC1OC(CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)C(O)C1O)c1ccccc1

InChI Key: InChIKey=POEUQIKUQWIHOI-SYWIVNIZSA-N

Data: 2 IC50

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 = 50111451   

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
P-selectin/P-selectin glycoprotein ligand 1 (Homo sapiens (Human))	BDBM50111451 (2-[2-(3,4,5-Trihydroxy-6-{[2-(1-phenyl-ethylcarbam...) Show SMILES C[C@@H](NC(=O)c1ccccc1C(=O)NCC1OC(CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)C(O)C1O)c1ccccc1 Show InChI InChI=1S/C29H35N3O11/c1-15(16-7-3-2-4-8-16)31-28(40)18-10-6-5-9-17(18)27(39)30-14-21-25(37)26(38)24(36)20(43-21)13-22(33)32-19(29(41)42)11-12-23(34)35/h2-10,15,19-21,24-26,36-38H,11-14H2,1H3,(H,30,39)(H,31,40)(H,32,33)(H,34,35)(H,41,42)/t15-,19+,20?,21?,24?,25?,26?/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Ability to inhibit the binding of P-selectin glycoprotein ligand 1 (PSGL-1) fusion protein to immobilized soluble P-selectin in a P-selectin assay.				J Med Chem 45: 1563-6 (2002) BindingDB Entry DOI: 10.7270/Q27W6CZ4
					More data for this Ligand-Target Pair
Alpha-1-acid glycoprotein 1 (Homo sapiens (Human))	BDBM50111451 (2-[2-(3,4,5-Trihydroxy-6-{[2-(1-phenyl-ethylcarbam...) Show SMILES C[C@@H](NC(=O)c1ccccc1C(=O)NCC1OC(CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)C(O)C1O)c1ccccc1 Show InChI InChI=1S/C29H35N3O11/c1-15(16-7-3-2-4-8-16)31-28(40)18-10-6-5-9-17(18)27(39)30-14-21-25(37)26(38)24(36)20(43-21)13-22(33)32-19(29(41)42)11-12-23(34)35/h2-10,15,19-21,24-26,36-38H,11-14H2,1H3,(H,30,39)(H,31,40)(H,32,33)(H,34,35)(H,41,42)/t15-,19+,20?,21?,24?,25?,26?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Ability to inhibit the binding of E-selectin to human recombinant AGP (alpha-1 acid glycoprotein) in a E-selectin assay				J Med Chem 45: 1563-6 (2002) BindingDB Entry DOI: 10.7270/Q27W6CZ4
					More data for this Ligand-Target Pair