BDBM50089616 4a,12a-Dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxy-phenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,5H-7,10-dioxa-benzo[a]anthracene-1,11-dione::CHEMBL24686::territrem B

SMILES: C[C@@]12CC[C@@]3([C@@]([C@]1(CC4=C(O2)C=C(OC4=O)c5cc(c(c(c5)OC)OC)OC)O)(C(=O)C=CC3(C)C)C)O

InChI Key: InChIKey=PBXNNDFKPQPJBB-UHFFFAOYSA-N

Data: 2 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

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 7 hits for monomerid = 50089616   

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
Sterol O-acyltransferase 1 (Human)	BDBM50089616 (CHEMBL24686 | territrem B | 4a,12a-Dihydroxy-4,4,6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Human)	BDBM50089616 (CHEMBL24686 | territrem B | 4a,12a-Dihydroxy-4,4,6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electric eel)	BDBM50089616 (CHEMBL24686 | territrem B | 4a,12a-Dihydroxy-4,4,6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Human)	BDBM50089616 (CHEMBL24686 | territrem B | 4a,12a-Dihydroxy-4,4,6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Human)	BDBM50089616 (CHEMBL24686 | territrem B | 4a,12a-Dihydroxy-4,4,6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Human)	BDBM50089616 (CHEMBL24686 | territrem B | 4a,12a-Dihydroxy-4,4,6...) Show SMILES Show InChI	GoogleScholar	UniChem		1.70	-12.0	n/a	n/a	n/a	n/a	n/a	7.0	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Human)	BDBM50089616 (CHEMBL24686 | territrem B | 4a,12a-Dihydroxy-4,4,6...) Show SMILES Show InChI	GoogleScholar	UniChem		1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair