BDBM50240501 (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR)-methyl 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate::(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-Hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-icosahydro-cyclopenta[a]chrysene-3a-carboxylic acid methyl ester::(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-methyl 9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate::CHEMBL295602::Methyl 3-hydroxylup-20(29)-en-28-oate::Methyl 3beta-Hydroxylup-20(29)-en-28-oate::Methyl betulinate::betulinic acid methylester

SMILES: COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C

InChI Key: InChIKey=XNZIMRUZBOZIBC-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 50240501   

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
G-protein coupled bile acid receptor 1 (Human)	BDBM50240501 ((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR)-methyl 9-hy...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Bovine)	BDBM50240501 ((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR)-methyl 9-hy...) Show SMILES Show InChI	GoogleScholar	UniChem		>5.00E+4	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