BDBM80094 AESCINE::MLS002695979::SMR000127404::cid_16211024

SMILES: C\C=C(/C)C(=O)OC1[C@H](OC(C)=O)C2(CO)[C@H](O)C[C@]3(C)C(=CCC4C5(C)CCC(O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)(CO)C5CCC34C)C2CC1(C)C

InChI Key: InChIKey=AXNVHPCVMSNXNP-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 80094   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-galactosidase (Escherichia coli)	BDBM80094 (MLS002695979 | AESCINE | SMR000127404 | cid_162110...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>6.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Human)	BDBM80094 (MLS002695979 | AESCINE | SMR000127404 | cid_162110...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (Human)	BDBM80094 (MLS002695979 | AESCINE | SMR000127404 | cid_162110...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Apelin receptor (Human)	BDBM80094 (MLS002695979 | AESCINE | SMR000127404 | cid_162110...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair