BDBM50215367 CHEMBL3215456

SMILES: [Na+].C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(=O)c3ccc4ccccc4c3)[C@H](OCCCCCCNC(=O)C=C)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

InChI Key: InChIKey=MYHGBRMNNLVXTE-KOXBGWPFSA-M

Data: 1 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 1 hit for monomerid = 50215367   

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
Selectin (Homo sapiens (Human))	BDBM50215367 (CHEMBL3215456) Show SMILES [Na+].C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(=O)c3ccc4ccccc4c3)[C@H](OCCCCCCNC(=O)C=C)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/C49H71N3O24/c1-4-31(59)50-15-9-5-6-10-16-69-45-33(52-44(66)26-14-13-24-11-7-8-12-25(24)17-26)42(74-46-38(64)37(63)34(60)22(2)70-46)40(30(21-55)72-45)73-47-39(65)43(36(62)29(20-54)71-47)76-49(48(67)68)18-27(57)32(51-23(3)56)41(75-49)35(61)28(58)19-53/h4,7-8,11-14,17,22,27-30,32-43,45-47,53-55,57-58,60-65H,1,5-6,9-10,15-16,18-21H2,2-3H3,(H,50,59)(H,51,56)(H,52,66)(H,67,68)/p-1/t22-,27+,28+,29-,30-,32+,33-,34+,35+,36-,37-,38-,39-,40+,41+,42+,43-,45+,46-,47-,49-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Tested in vitro to inhibit cell adhesion of HL-60 cells to recombinant human soluble Selectin E				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4S3D
					More data for this Ligand-Target Pair