Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 983.2 BDBM50330178

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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
Ras-related protein Rap-1A (Homo sapiens (Human))	BDBM50330178 (CHEMBL1269578 | desulfo-Yessotoxin) Show SMILES C[C@H]1CC[C@]2(C)O[C@]3(C)CC[C@@H]4O[C@@H]5C[C@@H]6O[C@@H]7C[C@H](O)[C@@](C)(CCO)O[C@H]7C[C@H]6O[C@H]5C[C@H]4O[C@H]3C[C@H]2O[C@H]2C[C@H]3O[C@H]4C[C@H]5O[C@@H](C(=C)C[C@@H]5O[C@]4(C)[C@H](O)[C@@H]3O[C@H]12)[C@](C)(O)\C=C\C(=C)CC=C |r| Show InChI InChI=1S/C55H82O15/c1-10-11-28(2)12-15-51(5,59)50-30(4)20-39-38(66-50)26-46-55(9,69-39)49(58)48-42(65-46)24-41-47(67-48)29(3)13-16-53(7)45(64-41)27-44-54(8,70-53)17-14-31-32(63-44)21-34-33(60-31)22-35-36(61-34)23-40-37(62-35)25-43(57)52(6,68-40)18-19-56/h10,12,15,29,31-50,56-59H,1-2,4,11,13-14,16-27H2,3,5-9H3/b15-12+/t29-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44-,45+,46-,47+,48+,49+,50-,51+,52+,53-,54+,55-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to RAP1A in human RBC membrane by surface plasmon resonance analysis with inverted configuration				Bioorg Med Chem Lett 20: 6443-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.080 BindingDB Entry DOI: 10.7270/Q2R212C8
					More data for this Ligand-Target Pair