BDBM50050957 (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(4-carboxy-3,3-dimethylbutanoyloxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid::3,3-Dimethyl-pentanedioic acid mono-((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-carboxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-icosahydro-cyclopenta[a]chrysen-9-yl) ester::CHEMBL273330

SMILES: CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)CC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O

InChI Key: InChIKey=FXTCAQPTKOAIQP-AGOCENNXSA-N

Data: 1 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 1 hit for monomerid = 50050957   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50050957 ((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(4-c...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)CC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O Show InChI InChI=1S/C37H58O6/c1-22(2)23-12-17-37(31(41)42)19-18-35(8)24(30(23)37)10-11-26-34(7)15-14-27(33(5,6)25(34)13-16-36(26,35)9)43-29(40)21-32(3,4)20-28(38)39/h23-27,30H,1,10-21H2,2-9H3,(H,38,39)(H,41,42)/t23-,24+,25-,26+,27-,30+,34-,35+,36+,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HIV-RT				J Med Chem 39: 1016-7 (1996) Article DOI: 10.1021/jm950922q BindingDB Entry DOI: 10.7270/Q2PN94QV
					More data for this Ligand-Target Pair