Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P-selectin' and Ligand = 'BDBM50060511'   

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
P-selectin (Homo sapiens (Human))	BDBM50060511 ((R)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...) Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC Show InChI InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39?,40?,41?,45?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Kanebo Curated by ChEMBL					Assay Description Inhibition of Selectin P binding				J Med Chem 41: 4279-87 (1998) Article DOI: 10.1021/jm980267x BindingDB Entry DOI: 10.7270/Q2474BHN
					More data for this Ligand-Target Pair
P-selectin (Mus musculus)	BDBM50060511 ((R)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...) Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC Show InChI InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39?,40?,41?,45?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Kanebo Curated by ChEMBL					Assay Description Blocking activity using seletin-IgG chimeras in a Selectin P competitive binding assay.				J Med Chem 40: 3534-41 (1997) Article DOI: 10.1021/jm970262k BindingDB Entry DOI: 10.7270/Q2NP253K
					More data for this Ligand-Target Pair