BDBM63222 2-[(3S,3'aR,8'aS,8'bS)-7-methyl-1',2,3'-trioxo-2'-spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]yl]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester::2-[(3aR,4S,8aS,8bS)-1,2',3-triketo-7'-methyl-spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,3'-indoline]-2-yl]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester::MLS000580228::SMR000220492::cid_12005701::methyl 2-[(3S,3'aR,8'aS,8'bS)-7-methyl-1',2,3'-trioxospiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-2'-yl]-4,5-dimethylthiophene-3-carboxylate::methyl 2-[(3S,3'aR,8'aS,8'bS)-7-methyl-1',2,3'-tris(oxidanylidene)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-2'-yl]-4,5-dimethyl-thiophene-3-carboxylate

SMILES Cc1cccc(-c2nn(CC(=O)Nc3cc(F)cc(C(=O)OCCNC(C)C)c3)cc2-c2ccnc3ccccc23)n1

InChI Key InChIKey=KMKSSDFSZZSWTI-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 63222   

TargetTGF-beta receptor type-1(Human)
Agomab Spain S.L.U.

US Patent
LigandChemical structure of BindingDB Monomer ID 63222BDBM63222(2-(isopropylamino)ethyl 3-fluoro-5-(2-(3-(6-methyl...)
Affinity DataIC50: 1.00E+3nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
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Date in BDB:
7/27/2026
Entry Details
US Patent