BDBM50606310 CHEMBL5169427::US20230286979, Isomer 2 of Example 1::US20230321108, Isomer 2 of Example 1

SMILES [H][C@@]12C[C@]1([H])N(CCN2C(=O)[C@H](CNC(C)C)c1ccc(Cl)cc1)c1ncnc2NC(=O)C[C@@H](C)c12

InChI Key InChIKey=RXNPEQZHMGFNAY-GEALJGNFSA-N

Data  17 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 17 hits for monomerid = 50606310   

TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
Nanjing Chia Tai Tianqing Pharmaceutical

US Patent
LigandPNGBDBM50606310(CHEMBL5169427 | US20230286979, Isomer 2 of Example...)
Affinity DataIC50:  0.350nMAssay Description:Envision model plate reader (Molecular Devices)White 384-well plate (Thermo, Art. No. #264706)Main reagents included in an HTRF kinEASE TK kit (Cisbi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Nanjing Chia-Tai Tianqing Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50606310(CHEMBL5169427 | US20230286979, Isomer 2 of Example...)
Affinity DataIC50:  1.52E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes at 0.01 to 30 uM using phenacetin as substrate in presence of NADPH by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetRAC-gamma serine/threonine-protein kinase(Homo sapiens (Human))
Nanjing Chia Tai Tianqing Pharmaceutical

US Patent
LigandPNGBDBM50606310(CHEMBL5169427 | US20230286979, Isomer 2 of Example...)
Affinity DataIC50:  0.0900nMAssay Description:Envision model plate reader (Molecular Devices)White 384-well plate (Thermo, Art. No. #264706)Main reagents included in an HTRF kinEASE TK kit (Cisbi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
Nanjing Chia Tai Tianqing Pharmaceutical

US Patent
LigandPNGBDBM50606310(CHEMBL5169427 | US20230286979, Isomer 2 of Example...)
Affinity DataIC50:  0.350nMAssay Description:After all the reagents were prepared according to the above method, except for the enzyme, the reagents were equilibrated to the room temperature and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetRAC-beta serine/threonine-protein kinase(Homo sapiens (Human))
Nanjing Chia Tai Tianqing Pharmaceutical

US Patent
LigandPNGBDBM50606310(CHEMBL5169427 | US20230286979, Isomer 2 of Example...)
Affinity DataIC50:  6.30nMAssay Description:After all the reagents were prepared according to the above method, except for the enzyme, the reagents were equilibrated to the room temperature and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetRAC-gamma serine/threonine-protein kinase(Homo sapiens (Human))
Nanjing Chia Tai Tianqing Pharmaceutical

US Patent
LigandPNGBDBM50606310(CHEMBL5169427 | US20230286979, Isomer 2 of Example...)
Affinity DataIC50:  0.0900nMAssay Description:After all the reagents were prepared according to the above method, except for the enzyme, the reagents were equilibrated to the room temperature and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
Nanjing Chia Tai Tianqing Pharmaceutical

US Patent
LigandPNGBDBM50606310(CHEMBL5169427 | US20230286979, Isomer 2 of Example...)
Affinity DataIC50:  0.350nMAssay Description:a) first, a compound stock solution (10 mM DMSO solution) was diluted with DMSO to obtain a 100 µM compound solution, the compound solution was dilut...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetRAC-beta serine/threonine-protein kinase(Homo sapiens (Human))
Nanjing Chia Tai Tianqing Pharmaceutical

US Patent
LigandPNGBDBM50606310(CHEMBL5169427 | US20230286979, Isomer 2 of Example...)
Affinity DataIC50:  6.30nMAssay Description:a) first, a compound stock solution (10 mM DMSO solution) was diluted with DMSO to obtain a 100 µM compound solution, the compound solution was dilut...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetRAC-gamma serine/threonine-protein kinase(Homo sapiens (Human))
Nanjing Chia Tai Tianqing Pharmaceutical

US Patent
LigandPNGBDBM50606310(CHEMBL5169427 | US20230286979, Isomer 2 of Example...)
Affinity DataIC50:  0.0900nMAssay Description:a) first, a compound stock solution (10 mM DMSO solution) was diluted with DMSO to obtain a 100 µM compound solution, the compound solution was dilut...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Nanjing Chia-Tai Tianqing Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50606310(CHEMBL5169427 | US20230286979, Isomer 2 of Example...)
Affinity DataIC50:  2.06E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes at 0.01 to 30 uM using dextromethorphan as substrate in presence of NADPH by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Nanjing Chia-Tai Tianqing Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50606310(CHEMBL5169427 | US20230286979, Isomer 2 of Example...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes at 0.01 to 30 uM using mephenytoin as substrate in presence of NADPH by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
Nanjing Chia Tai Tianqing Pharmaceutical

US Patent
LigandPNGBDBM50606310(CHEMBL5169427 | US20230286979, Isomer 2 of Example...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of recombinant AKT1 (104 to 480 end residues) (unknown origin) catalytic domain expressed in Sf21 cells using peptide substrate incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetRAC-beta serine/threonine-protein kinase(Homo sapiens (Human))
Nanjing Chia Tai Tianqing Pharmaceutical

US Patent
LigandPNGBDBM50606310(CHEMBL5169427 | US20230286979, Isomer 2 of Example...)
Affinity DataIC50:  6.30nMAssay Description:Inhibition of recombinant AKT2 (120 to 481 end residues) (unknown origin) catalytic domain expressed in Sf21 cells using peptide substrate incubated ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetRAC-gamma serine/threonine-protein kinase(Homo sapiens (Human))
Nanjing Chia Tai Tianqing Pharmaceutical

US Patent
LigandPNGBDBM50606310(CHEMBL5169427 | US20230286979, Isomer 2 of Example...)
Affinity DataIC50:  0.100nMAssay Description:Inhibition of recombinant N-terminal GST tagged AKT2 (108 to 479 end residues) (unknown origin) catalytic domain expressed in Sf21 cells using peptid...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Nanjing Chia-Tai Tianqing Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50606310(CHEMBL5169427 | US20230286979, Isomer 2 of Example...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes at 0.01 to 30 uM using phenacetin as substrate in presence of NADPH by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Nanjing Chia-Tai Tianqing Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50606310(CHEMBL5169427 | US20230286979, Isomer 2 of Example...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes at 0.01 to 30 uM using diclofenac as substrate in presence of NADPH by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetRAC-beta serine/threonine-protein kinase(Homo sapiens (Human))
Nanjing Chia Tai Tianqing Pharmaceutical

US Patent
LigandPNGBDBM50606310(CHEMBL5169427 | US20230286979, Isomer 2 of Example...)
Affinity DataIC50:  6.30nMAssay Description:Envision model plate reader (Molecular Devices)White 384-well plate (Thermo, Art. No. #264706)Main reagents included in an HTRF kinEASE TK kit (Cisbi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent