BDBM572212 (9aS,10aR or 9aR, 10aS)-3-chloro-4,5-dimethyl-14-{3-[(naphthalen-1-yl)oxy]propyl}-5,7,9a, 10,10a, 11-hexahydro-9H-cyclopropa[3,4]pyrazolo[4′,3′:9,10][1,6]oxazacycloundecino-[8,7,6-hi]indole-13-carboxylic Acid—Stereoisomer 1::US11447504, Example 65::US11447504, Example 66::US11478451, Example 083

SMILES Cc1c-2c(COCC3CC3Cn3c(C(O)=O)c(CCCOc4cccc5ccccc45)c4ccc(Cl)c-2c34)nn1C

InChI Key InChIKey=NAMHEZLSLWIGJK-UHFFFAOYSA-N

Data  10 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 572212   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM572212((9aS,10aR or 9aR, 10aS)-3-chloro-4,5-dimethyl-14-{...)
Affinity DataIC50:  2.70nMAssay Description:The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBcl-2-like protein 1 [1-212]/Bad BH3 Peptide(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM572212((9aS,10aR or 9aR, 10aS)-3-chloro-4,5-dimethyl-14-{...)
Affinity DataIC50:  1.90E+4nMAssay Description:The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-XL and the BH3 domain of Bad (both human) w...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetApoptosis regulator Bcl-2/Bcl2-associated agonist of cell death [103-127,M117N](Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM572212((9aS,10aR or 9aR, 10aS)-3-chloro-4,5-dimethyl-14-{...)
Affinity DataIC50: >2.00E+4nMAssay Description:The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-2 and the BH3 domain of Bad (both human) wa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM572212((9aS,10aR or 9aR, 10aS)-3-chloro-4,5-dimethyl-14-{...)
Affinity DataIC50:  1.60nMAssay Description:The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM572212((9aS,10aR or 9aR, 10aS)-3-chloro-4,5-dimethyl-14-{...)
Affinity DataIC50:  1.70nMAssay Description:The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetApoptosis regulator Bcl-2/Bcl2-associated agonist of cell death [103-127,M117N](Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM572212((9aS,10aR or 9aR, 10aS)-3-chloro-4,5-dimethyl-14-{...)
Affinity DataIC50:  2.00E+4nMAssay Description:The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-2 and the BH3 domain of Bad (both human) wa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBcl-2-like protein 1 [1-212]/Bad BH3 Peptide(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM572212((9aS,10aR or 9aR, 10aS)-3-chloro-4,5-dimethyl-14-{...)
Affinity DataIC50:  1.70E+4nMAssay Description:The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-XL and the BH3 domain of Bad (both human) w...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetApoptosis regulator Bcl-2/Bcl2-associated agonist of cell death [103-127,M117N](Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM572212((9aS,10aR or 9aR, 10aS)-3-chloro-4,5-dimethyl-14-{...)
Affinity DataIC50: >2.00E+4nMAssay Description:The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-2 and the BH3 domain of Bad (both human) wa...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM572212((9aS,10aR or 9aR, 10aS)-3-chloro-4,5-dimethyl-14-{...)
Affinity DataIC50:  0.920nMAssay Description:The dose-dependent inhibition by the compounds described in this invention of the interaction between MCL-1 and the BH3 domain of Noxa (both human) w...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBcl-2-like protein 1 [1-212]/Bad BH3 Peptide(Homo sapiens (Human))
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM572212((9aS,10aR or 9aR, 10aS)-3-chloro-4,5-dimethyl-14-{...)
Affinity DataIC50:  1.80E+4nMAssay Description:The dose-dependent inhibition by the compounds described in this invention of the interaction between BCL-XL and the BH3 domain of Bad (both human) w...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent