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BDBM162023 US9051279, 73a::US9051279, 73b

SMILES: CC[C@@H](C)Oc1cc2[C@@H](N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N(C)C)c1ccc(Cl)cc1

InChI Key: InChIKey=IXFIHZIZFSCBSU-RLSUEOBTNA-N

Data: 5 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 5 hits for monomerid = 162023   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162023
PNG
(US9051279, 73a | US9051279, 73b)
Show SMILES CC[C@@H](C)Oc1cc2[C@@H](N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N(C)C)c1ccc(Cl)cc1 |r,wU:30.36,wD:8.39,2.2,27.29,(9.34,7.63,;8,6.86,;6.67,7.63,;6.67,9.17,;5.33,6.86,;4,7.63,;2.67,6.86,;1.33,7.63,;,6.86,;-1.33,7.63,;-1.33,9.17,;-2.67,9.94,;,9.94,;1.33,9.17,;2.67,9.94,;4,9.17,;5.33,9.94,;5.33,11.48,;-2.67,6.86,;-2.67,5.32,;-4,4.55,;-5.33,5.32,;-5.33,6.86,;-4,7.63,;-6.67,4.55,;-6.67,3.01,;-8,5.32,;-8,6.86,;-6.67,7.63,;-6.67,9.17,;-8,9.94,;-9.34,9.17,;-9.34,7.63,;-8,11.48,;-9.34,12.25,;-6.67,12.25,;,5.32,;-1.33,4.55,;-1.33,3.01,;,2.24,;,.7,;1.33,3.01,;1.33,4.55,)|
Show InChI InChI=1/C36H46ClN3O3/c1-7-24(2)43-34-22-32-27(20-33(34)42-6)21-35(41)40(36(32)26-10-12-28(37)13-11-26)31-18-16-30(17-19-31)39(5)23-25-8-14-29(15-9-25)38(3)4/h10-13,16-20,22,24-25,29,36H,7-9,14-15,21,23H2,1-6H3/t24-,25-,29-,36+/s2
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n/an/a 1.90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US9051279 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HMM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162023
PNG
(US9051279, 73a | US9051279, 73b)
Show SMILES CC[C@@H](C)Oc1cc2[C@@H](N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N(C)C)c1ccc(Cl)cc1 |r,wU:30.36,wD:8.39,2.2,27.29,(9.34,7.63,;8,6.86,;6.67,7.63,;6.67,9.17,;5.33,6.86,;4,7.63,;2.67,6.86,;1.33,7.63,;,6.86,;-1.33,7.63,;-1.33,9.17,;-2.67,9.94,;,9.94,;1.33,9.17,;2.67,9.94,;4,9.17,;5.33,9.94,;5.33,11.48,;-2.67,6.86,;-2.67,5.32,;-4,4.55,;-5.33,5.32,;-5.33,6.86,;-4,7.63,;-6.67,4.55,;-6.67,3.01,;-8,5.32,;-8,6.86,;-6.67,7.63,;-6.67,9.17,;-8,9.94,;-9.34,9.17,;-9.34,7.63,;-8,11.48,;-9.34,12.25,;-6.67,12.25,;,5.32,;-1.33,4.55,;-1.33,3.01,;,2.24,;,.7,;1.33,3.01,;1.33,4.55,)|
Show InChI InChI=1/C36H46ClN3O3/c1-7-24(2)43-34-22-32-27(20-33(34)42-6)21-35(41)40(36(32)26-10-12-28(37)13-11-26)31-18-16-30(17-19-31)39(5)23-25-8-14-29(15-9-25)38(3)4/h10-13,16-20,22,24-25,29,36H,7-9,14-15,21,23H2,1-6H3/t24-,25-,29-,36+/s2
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n/an/a 788n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US9051279 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HMM
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM162023
PNG
(US9051279, 73a | US9051279, 73b)
Show SMILES CC[C@@H](C)Oc1cc2[C@@H](N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N(C)C)c1ccc(Cl)cc1 |r,wU:30.36,wD:8.39,2.2,27.29,(9.34,7.63,;8,6.86,;6.67,7.63,;6.67,9.17,;5.33,6.86,;4,7.63,;2.67,6.86,;1.33,7.63,;,6.86,;-1.33,7.63,;-1.33,9.17,;-2.67,9.94,;,9.94,;1.33,9.17,;2.67,9.94,;4,9.17,;5.33,9.94,;5.33,11.48,;-2.67,6.86,;-2.67,5.32,;-4,4.55,;-5.33,5.32,;-5.33,6.86,;-4,7.63,;-6.67,4.55,;-6.67,3.01,;-8,5.32,;-8,6.86,;-6.67,7.63,;-6.67,9.17,;-8,9.94,;-9.34,9.17,;-9.34,7.63,;-8,11.48,;-9.34,12.25,;-6.67,12.25,;,5.32,;-1.33,4.55,;-1.33,3.01,;,2.24,;,.7,;1.33,3.01,;1.33,4.55,)|
Show InChI InChI=1/C36H46ClN3O3/c1-7-24(2)43-34-22-32-27(20-33(34)42-6)21-35(41)40(36(32)26-10-12-28(37)13-11-26)31-18-16-30(17-19-31)39(5)23-25-8-14-29(15-9-25)38(3)4/h10-13,16-20,22,24-25,29,36H,7-9,14-15,21,23H2,1-6H3/t24-,25-,29-,36+/s2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG by radioligand binding assay


J Med Chem 58: 6348-58 (2015)


BindingDB Entry DOI: 10.7270/Q2HQ41QV
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM162023
PNG
(US9051279, 73a | US9051279, 73b)
Show SMILES CC[C@@H](C)Oc1cc2[C@@H](N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N(C)C)c1ccc(Cl)cc1 |r,wU:30.36,wD:8.39,2.2,27.29,(9.34,7.63,;8,6.86,;6.67,7.63,;6.67,9.17,;5.33,6.86,;4,7.63,;2.67,6.86,;1.33,7.63,;,6.86,;-1.33,7.63,;-1.33,9.17,;-2.67,9.94,;,9.94,;1.33,9.17,;2.67,9.94,;4,9.17,;5.33,9.94,;5.33,11.48,;-2.67,6.86,;-2.67,5.32,;-4,4.55,;-5.33,5.32,;-5.33,6.86,;-4,7.63,;-6.67,4.55,;-6.67,3.01,;-8,5.32,;-8,6.86,;-6.67,7.63,;-6.67,9.17,;-8,9.94,;-9.34,9.17,;-9.34,7.63,;-8,11.48,;-9.34,12.25,;-6.67,12.25,;,5.32,;-1.33,4.55,;-1.33,3.01,;,2.24,;,.7,;1.33,3.01,;1.33,4.55,)|
Show InChI InChI=1/C36H46ClN3O3/c1-7-24(2)43-34-22-32-27(20-33(34)42-6)21-35(41)40(36(32)26-10-12-28(37)13-11-26)31-18-16-30(17-19-31)39(5)23-25-8-14-29(15-9-25)38(3)4/h10-13,16-20,22,24-25,29,36H,7-9,14-15,21,23H2,1-6H3/t24-,25-,29-,36+/s2
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n/an/a 5.25E+4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US9051279 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HMM
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM162023
PNG
(US9051279, 73a | US9051279, 73b)
Show SMILES CC[C@@H](C)Oc1cc2[C@@H](N(C(=O)Cc2cc1OC)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N(C)C)c1ccc(Cl)cc1 |r,wU:30.36,wD:8.39,2.2,27.29,(9.34,7.63,;8,6.86,;6.67,7.63,;6.67,9.17,;5.33,6.86,;4,7.63,;2.67,6.86,;1.33,7.63,;,6.86,;-1.33,7.63,;-1.33,9.17,;-2.67,9.94,;,9.94,;1.33,9.17,;2.67,9.94,;4,9.17,;5.33,9.94,;5.33,11.48,;-2.67,6.86,;-2.67,5.32,;-4,4.55,;-5.33,5.32,;-5.33,6.86,;-4,7.63,;-6.67,4.55,;-6.67,3.01,;-8,5.32,;-8,6.86,;-6.67,7.63,;-6.67,9.17,;-8,9.94,;-9.34,9.17,;-9.34,7.63,;-8,11.48,;-9.34,12.25,;-6.67,12.25,;,5.32,;-1.33,4.55,;-1.33,3.01,;,2.24,;,.7,;1.33,3.01,;1.33,4.55,)|
Show InChI InChI=1/C36H46ClN3O3/c1-7-24(2)43-34-22-32-27(20-33(34)42-6)21-35(41)40(36(32)26-10-12-28(37)13-11-26)31-18-16-30(17-19-31)39(5)23-25-8-14-29(15-9-25)38(3)4/h10-13,16-20,22,24-25,29,36H,7-9,14-15,21,23H2,1-6H3/t24-,25-,29-,36+/s2
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Novartis AG

US Patent


Assay Description
The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US9051279 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HMM
More data for this
Ligand-Target Pair