BDBM50310365 CHEMBL1077121::desulfated yessotoxin

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[C@@H]3O[C@H]12)[C@](C)(O)\C=C\C(=C)CC=C

InChI Key: InChIKey=CGGIJJRCHRKDSK-LGZHBHSXSA-N

Data: 2 Kd

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 2 hits for monomerid = 50310365   

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
Glycophorin-A (Homo sapiens (Human))	BDBM50310365 (CHEMBL1077121 | desulfated 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[C@@H]3O[C@H]12)[C@](C)(O)\C=C\C(=C)CC=C |r| Show InChI InChI=1S/C55H82O14/c1-10-11-29(2)12-15-51(5,58)50-31(4)20-41-40(66-50)26-46-55(9,68-41)28-44-38(63-46)24-43-49(65-44)30(3)13-16-53(7)48(64-43)27-47-54(8,69-53)17-14-32-33(62-47)21-35-34(59-32)22-36-37(60-35)23-42-39(61-36)25-45(57)52(6,67-42)18-19-56/h10,12,15,30,32-50,56-58H,1-2,4,11,13-14,16-28H2,3,5-9H3/b15-12+/t30-,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	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.70E+5	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to transmembrane alpha-helix of glycophorin A by surface plasmon resonance method				Bioorg Med Chem Lett 18: 6115-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.020 BindingDB Entry DOI: 10.7270/Q2P55PFJ
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50310365 (CHEMBL1077121 | desulfated 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[C@@H]3O[C@H]12)[C@](C)(O)\C=C\C(=C)CC=C |r| Show InChI InChI=1S/C55H82O14/c1-10-11-29(2)12-15-51(5,58)50-31(4)20-41-40(66-50)26-46-55(9,68-41)28-44-38(63-46)24-43-49(65-44)30(3)13-16-53(7)48(64-43)27-47-54(8,69-53)17-14-32-33(62-47)21-35-34(59-32)22-36-37(60-35)23-42-39(61-36)25-45(57)52(6,67-42)18-19-56/h10,12,15,30,32-50,56-58H,1-2,4,11,13-14,16-28H2,3,5-9H3/b15-12+/t30-,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 KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Binding affinity to recombinant PDE4D by surface plasmon resonance assay				Bioorg Med Chem Lett 19: 2824-8 (2009) Article DOI: 10.1016/j.bmcl.2009.03.103 BindingDB Entry DOI: 10.7270/Q2C53KZG
					More data for this Ligand-Target Pair