BDBM87509 2-[(1S,3R,12bS)-9-chloranyl-12b-ethyl-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl-4-oxidanylidene-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[3-(dimethylamino)propyl]ethanamide::2-[(1S,3R,12bS)-9-chloro-12b-ethyl-1-[4-(2-furoyl)piperazine-1-carbonyl]-4-keto-1,2,3,6,7,12-hexahydropyrido[2,1-a]-carbolin-3-yl]-N-[3-(dimethylamino)propyl]acetamide::2-[(1S,3R,12bS)-9-chloro-12b-ethyl-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[3-(dimethylamino)propyl]acetamide::2-[(1S,3R,12bS)-9-chloro-12b-ethyl-1-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[3-(dimethylamino)propyl]acetamide::MLS002611015::SMR001544190::cid_44601706

SMILES CC[C@@]12[C@H](C[C@H](CC(=O)NCCCN(C)C)C(=O)N1CCc1c2[nH]c2ccc(Cl)cc12)C(=O)N1CCN(CC1)C(=O)c1ccco1

InChI Key InChIKey=SRBBMXZESRWFPS-SAYGYDPZSA-N

Data  1 IC50

  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 = 87509   

TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM87509(2-[(1S,3R,12bS)-9-chloranyl-12b-ethyl-1-[4-(furan-...)
Affinity DataIC50:  4.68E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay