Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P-selectin' and Ligand = 'BDBM50214505'   

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))	BDBM50214505 (CHEMBL3215422) Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(C)=O)[C@H](OCCCCCCN)O[C@@H](CO)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C37H65N3O23/c1-14-23(48)26(51)27(52)34(57-14)61-31-22(40-16(3)45)33(56-9-7-5-4-6-8-38)59-20(13-43)29(31)60-35-28(53)32(25(50)19(12-42)58-35)63-37(36(54)55)10-17(46)21(39-15(2)44)30(62-37)24(49)18(47)11-41/h14,17-35,41-43,46-53H,4-13,38H2,1-3H3,(H,39,44)(H,40,45)(H,54,55)/t14-,17+,18+,19-,20-,21+,22-,23+,24+,25-,26-,27-,28-,29+,30+,31+,32-,33+,34-,35-,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of HL60 cell adhesion to recombinant P-selectin-IgG fusion protein obtained from transfected COS cells				Bioorg Med Chem Lett 6: 509-514 (1996) Article DOI: 10.1016/0960-894X(96)00057-1 BindingDB Entry DOI: 10.7270/Q27944P1
					More data for this Ligand-Target Pair
P-selectin (Homo sapiens (Human))	BDBM50214505 (CHEMBL3215422) Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(C)=O)[C@H](OCCCCCCN)O[C@@H](CO)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C37H65N3O23/c1-14-23(48)26(51)27(52)34(57-14)61-31-22(40-16(3)45)33(56-9-7-5-4-6-8-38)59-20(13-43)29(31)60-35-28(53)32(25(50)19(12-42)58-35)63-37(36(54)55)10-17(46)21(39-15(2)44)30(62-37)24(49)18(47)11-41/h14,17-35,41-43,46-53H,4-13,38H2,1-3H3,(H,39,44)(H,40,45)(H,54,55)/t14-,17+,18+,19-,20-,21+,22-,23+,24+,25-,26-,27-,28-,29+,30+,31+,32-,33+,34-,35-,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its ability to inhibit HL60 cell adhesion to P-selectin-IgG fusion proteins				Bioorg Med Chem Lett 7: 577-580 (1997) Article DOI: 10.1016/S0960-894X(97)00051-6 BindingDB Entry DOI: 10.7270/Q2GT5N6P
					More data for this Ligand-Target Pair