Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P-selectin' and Ligand = 'BDBM50288834'   

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))	BDBM50288834 (CHEMBL3215417 | CHEMBL413369 | Sialyl-LewisX Conju...) Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(C)=O)[C@H](OCCCCCCNC(=O)[C@H]3CC[C@H](CN4C(=O)C=CC4=O)CC3)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 |wU:49.52,51.64,5.4,42.44,6.6,55.58,22.21,71.76,47.50,77.83,11.11,62.66,53.56,1.0,wD:3.3,40.43,51.53,60.65,25.25,73.78,75.80,37.39,64.68,44.47,c:30,(10.58,2.63,;11.91,1.86,;11.91,.32,;13.25,-.45,;13.25,-1.99,;11.91,-2.76,;10.58,-1.99,;10.58,-.45,;9.25,.32,;9.25,1.86,;7.91,-.45,;9.25,-2.76,;7.91,-1.99,;6.58,-2.76,;5.25,-1.99,;3.91,-2.76,;2.58,-1.99,;1.24,-2.76,;-.09,-1.99,;-1.42,-2.76,;-2.76,-1.99,;-2.76,-.45,;-4.09,-2.76,;-4.09,-4.3,;-5.42,-5.07,;-6.76,-4.3,;-8.09,-5.07,;-9.42,-4.3,;-9.59,-2.77,;-8.44,-1.74,;-11.09,-2.45,;-11.86,-3.78,;-10.83,-4.93,;-11.15,-6.43,;-6.76,-2.76,;-5.42,-1.99,;9.25,-4.3,;10.58,-5.07,;10.58,-6.61,;9.25,-7.38,;11.91,-4.3,;13.25,-5.07,;13.25,-6.61,;11.91,-7.38,;11.91,-8.92,;10.58,-9.69,;10.58,-11.23,;13.25,-9.69,;13.25,-11.23,;14.58,-8.92,;15.92,-9.69,;15.92,-11.23,;16.44,-12.68,;15.45,-13.86,;15.98,-15.3,;13.94,-13.59,;12.95,-14.77,;13.47,-16.22,;14.99,-16.48,;12.48,-17.4,;13.41,-12.14,;14.4,-10.96,;11.89,-11.87,;11.37,-10.43,;10.9,-13.05,;11.43,-14.5,;9.39,-12.79,;8.4,-13.97,;17.43,-10.96,;17.96,-9.52,;18.42,-12.14,;14.58,-7.38,;15.92,-6.61,;14.58,.32,;15.92,-.45,;14.58,1.86,;15.92,2.63,;13.25,2.63,;13.25,4.17,)| Show InChI InChI=1S/C49H78N4O26/c1-21-34(63)37(66)38(67)46(73-21)77-42-33(52-23(3)58)45(72-15-7-5-4-6-14-50-44(69)25-10-8-24(9-11-25)17-53-30(61)12-13-31(53)62)75-29(20-56)40(42)76-47-39(68)43(36(65)28(19-55)74-47)79-49(48(70)71)16-26(59)32(51-22(2)57)41(78-49)35(64)27(60)18-54/h12-13,21,24-29,32-43,45-47,54-56,59-60,63-68H,4-11,14-20H2,1-3H3,(H,50,69)(H,51,57)(H,52,58)(H,70,71)/t21?,24?,25?,26?,27-,28?,29?,32?,33?,34?,35-,36?,37?,38?,39?,40?,41?,42?,43?,45?,46?,47?,49?/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	n/a	n/a	3.80E+5	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