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Compile Data Set for Download or QSAR

Found 2583 hits with Last Name = 'doll' and Initial = 'rj'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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KEGG

UniProtKB/SwissProt

antibodypedia
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n/an/a 0.100n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against Farnesyltransferase quantified by modified SPA assay with improved sensitivity


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227653
PNG
(3-{6-(5-chloropyridin-3- yl)-8-[1-(2,6- difluoroph...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2c(F)cccc2F)CC1 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.31,.64,;4.08,-.7,;4.85,.64,;4.08,1.97,;3.31,3.3,;1.77,3.3,;4.08,4.64,;5.62,4.64,;6.39,3.3,;5.62,1.97,;6.39,.64,;3.03,-3.98,;4.52,-4.38,)|
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n/an/a 0.156n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent




US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227651
PNG
(6-(5-chloropyridin-3-yl)- 8-[1-fluoro-1-(2- fluoro...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)C(O)=O)C(C)(F)c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,(6.57,-3.25,;5.09,-2.85,;4.69,-1.36,;3.2,-.96,;2.11,-2.05,;.62,-1.65,;.23,-.17,;1.13,1.08,;.23,2.33,;-1.24,1.85,;-2.57,2.62,;-3.91,1.85,;-3.91,.31,;-2.57,-.46,;-2.57,-2,;-1.24,-2.77,;-1.24,-4.31,;-2.57,-5.08,;-3.91,-4.31,;-5.24,-5.08,;-3.91,-2.77,;-1.24,.31,;-5.24,2.62,;-6.57,1.85,;-5.24,4.16,;2.8,1.08,;3.57,-.25,;4.34,1.08,;3.57,2.41,;5.11,2.41,;5.88,3.75,;5.11,5.08,;3.57,5.08,;2.8,3.75,;1.26,3.75,;2.51,-3.54,;4,-3.94,)|
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Merck Sharp & Dohme Corp.

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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM223046
PNG
(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- m...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C(O)=O)C1CCC1 |r,wU:1.0,27.29,wD:24.25,15.16,(-5.24,-1.96,;-3.91,-2.73,;-2.57,-1.96,;-2.57,-.42,;-3.91,.35,;-3.91,1.89,;-2.57,2.66,;-1.24,1.89,;.23,2.36,;1.13,1.12,;2.67,1.12,;3.44,-.22,;4.98,-.22,;5.75,1.12,;4.98,2.45,;3.44,2.45,;2.67,3.78,;3.44,5.12,;2.67,6.45,;1.13,6.45,;.36,5.12,;1.13,3.78,;.23,-.13,;.62,-1.62,;2.11,-2.02,;2.51,-3.5,;4,-3.9,;5.09,-2.81,;6.57,-3.21,;4.69,-1.32,;3.2,-.93,;-1.24,.35,;-5.24,2.66,;-6.57,1.89,;-5.24,4.2,;-3.91,-4.27,;-5,-5.36,;-3.91,-6.45,;-2.82,-5.36,)|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224125
PNG
(3-{6-[3-chloro-5- (hydroxymethyl)phen- yl]-7-[(tra...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cc(Cl)cc(CO)c4)c23)-c2noc(=O)[nH]2)N2CCOC[C@H]2c2ccccc2)CC1 |r,wU:4.4,wD:1.0,35.40,(7.86,-3.92,;6.37,-3.52,;5.98,-2.03,;4.49,-1.63,;3.4,-2.72,;1.91,-2.32,;1.51,-.83,;2.42,.41,;1.51,1.66,;.05,1.18,;-1.28,1.95,;-2.62,1.18,;-2.62,-.36,;-1.28,-1.13,;-1.28,-2.67,;-2.62,-3.44,;-2.62,-4.98,;-3.95,-5.75,;-1.28,-5.75,;.05,-4.98,;1.38,-5.75,;2.72,-4.98,;.05,-3.44,;.05,-.36,;-3.95,1.95,;-3.95,3.49,;-5.42,3.97,;-6.32,2.72,;-7.86,2.72,;-5.42,1.48,;3.96,.41,;4.73,-.92,;6.27,-.92,;7.04,.41,;6.27,1.75,;4.73,1.75,;3.96,3.08,;4.73,4.41,;3.96,5.75,;2.42,5.75,;1.65,4.41,;2.42,3.08,;3.8,-4.21,;5.29,-4.61,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224261
PNG
(3-{8-[(2r)-4-acetyl- 2-phenylpiperazin-1- yl]-6-{[...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCN(C[C@H]3c3ccccc3)C(C)=O)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,27.28,wD:30.32,15.16,(-5.47,-1.96,;-4.13,-2.73,;-2.8,-1.96,;-2.8,-.42,;-4.13,.35,;-4.13,1.89,;-2.8,2.66,;-1.46,1.89,;0,2.36,;.91,1.12,;2.45,1.12,;3.22,-.22,;4.76,-.22,;5.53,1.12,;4.76,2.45,;3.22,2.45,;2.45,3.78,;3.22,5.12,;2.45,6.45,;.91,6.45,;.14,5.12,;.91,3.78,;7.07,1.12,;7.84,2.45,;7.84,-.22,;0,-.13,;.4,-1.62,;1.89,-2.02,;2.98,-.93,;4.46,-1.32,;4.86,-2.81,;6.35,-3.21,;3.77,-3.9,;2.28,-3.5,;-1.46,.35,;-5.47,2.66,;-6.93,2.18,;-7.84,3.43,;-6.93,4.67,;-7.7,6.01,;-5.47,4.2,;-4.13,-4.27,;-5.22,-5.36,;-4.13,-6.45,;-3.04,-5.36,)|
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Merck Sharp & Dohme Corp.

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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227665
PNG
(5-{6-(5-chloropyridin-3- yl)-8-[1-(2,6- difluoroph...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2n[nH]c(=O)o2)C(C)(F)c2c(F)cccc2F)CC1 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;4.73,.64,;3.96,1.97,;3.19,3.3,;1.65,3.3,;3.96,4.64,;5.5,4.64,;6.27,3.3,;5.5,1.97,;6.27,.64,;3.03,-3.98,;4.52,-4.38,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227683
PNG
(3-{6-(5-chloropyridin-3- yl)-8-[1-fluoro-1-(3- flu...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2ncccc2F)CC1 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-3.39,-3.21,;-3.39,-4.75,;-2.05,-5.52,;-.72,-4.75,;.61,-5.52,;-.72,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;4.73,.64,;3.96,-.7,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,;3.03,-3.98,;4.52,-4.38,)|
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Merck Sharp & Dohme Corp.

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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM223705
PNG
(3-(6-{[(1r)-1- cyclobutylethyl]amino}- 8- (hexahyd...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOC4CCCC34)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,21.22,wD:24.26,(-4.51,-1.47,;-3.18,-2.24,;-1.85,-1.47,;-1.85,.07,;-3.18,.84,;-3.18,2.38,;-1.85,3.15,;-.51,2.38,;.95,2.86,;1.86,1.61,;3.4,1.61,;4.17,.28,;5.71,.28,;6.48,1.61,;5.71,2.95,;6.18,4.41,;4.94,5.32,;3.69,4.41,;4.17,2.95,;.95,.37,;1.35,-1.12,;2.84,-1.52,;3.93,-.43,;5.41,-.83,;5.81,-2.31,;7.3,-2.71,;4.72,-3.4,;3.24,-3,;-.51,.84,;-4.51,3.15,;-5.76,2.25,;-7.01,3.15,;-6.53,4.62,;-7.3,5.95,;-4.99,4.62,;-3.18,-3.78,;-4.27,-4.86,;-3.18,-5.95,;-2.09,-4.86,)|
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Merck Sharp & Dohme Corp.

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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227669
PNG
(5-{6-(5-chloropyridin-3- yl)-8-[1-fluoro-1-(3- flu...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2n[nH]c(=O)o2)C(C)(F)c2ncccc2F)CC1 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;4.73,.64,;3.96,-.7,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,;3.03,-3.98,;4.52,-4.38,)|
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Merck Sharp & Dohme Corp.

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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM223402
PNG
(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- m...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCCC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C(O)=O)C1CCC1 |r,wU:1.0,27.29,wD:24.25,15.16,(-5.24,-1.96,;-3.91,-2.73,;-2.57,-1.96,;-2.57,-.42,;-3.91,.35,;-3.91,1.89,;-2.57,2.66,;-1.24,1.89,;.23,2.36,;1.13,1.12,;2.67,1.12,;3.44,-.22,;4.98,-.22,;5.75,1.12,;4.98,2.45,;3.44,2.45,;2.67,3.78,;3.44,5.12,;2.67,6.45,;1.13,6.45,;.36,5.12,;1.13,3.78,;.23,-.13,;.62,-1.62,;2.11,-2.02,;2.51,-3.5,;4,-3.9,;5.09,-2.81,;6.57,-3.21,;4.69,-1.32,;3.2,-.93,;-1.24,.35,;-5.24,2.66,;-6.57,1.89,;-5.24,4.2,;-3.91,-4.27,;-5,-5.36,;-3.91,-6.45,;-2.82,-5.36,)|
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Merck Sharp & Dohme Corp.

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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM226428
PNG
(3-{6-(5-chloropyridin-3- yl)-8-[1-fluoro-1-(2- flu...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;4.73,.64,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,;3.03,-3.98,;4.52,-4.38,)|
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Merck Sharp & Dohme Corp.

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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227696
PNG
(2-{1-[6-(5-chloropyridin- 3-yl)-7-[(trans-4- methy...)
Show SMILES COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1)c1ccccc1C#N |r,wU:24.27,wD:21.23,(5.86,.64,;4.52,-.13,;3.19,.64,;2.42,-.7,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;.74,-.61,;1.14,-2.1,;2.63,-2.5,;3.03,-3.98,;4.52,-4.38,;5.6,-3.29,;7.09,-3.69,;5.21,-1.81,;3.72,-1.41,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,;.11,3.3,)|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227678
PNG
(3-{6-(5-chloropyridin-3- yl)-8-[1-(2,6- difluoroph...)
Show SMILES COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1)c1c(F)cccc1F |r,wU:21.23,wD:24.27,(4.93,-1.67,;4.93,-.13,;3.6,.64,;3.6,-.9,;2.06,.64,;1.16,1.88,;-.31,1.41,;-1.64,2.18,;-2.98,1.41,;-2.98,-.13,;-1.64,-.9,;-1.64,-2.44,;-.31,-3.21,;-.31,-4.75,;-1.64,-5.52,;-2.98,-4.75,;-4.31,-5.52,;-2.98,-3.21,;-.31,-.13,;1.16,-.61,;1.16,-2.15,;2.49,-2.92,;3.82,-2.15,;5.16,-2.92,;5.16,-4.46,;6.49,-5.23,;3.82,-5.23,;2.49,-4.46,;-4.31,2.18,;-5.78,1.7,;-6.68,2.95,;-5.78,4.19,;-6.55,5.52,;-4.31,3.72,;4.37,1.97,;3.6,3.3,;2.06,3.3,;4.37,4.64,;5.91,4.64,;6.68,3.3,;5.91,1.97,;6.68,.64,)|
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM226426
PNG
(5-{6-(5-chloropyridin-3- yl)-8-[1-fluoro-1-(2- flu...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2n[nH]c(=O)o2)C(C)(F)c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;4.73,.64,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,;3.03,-3.98,;4.52,-4.38,)|
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Merck Sharp & Dohme Corp.

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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224176
PNG
(5-{6-(5- chloropyridin-3-yl)- 8-[(3r)-3-(2- fluoro...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2n[nH]c(=O)o2)N2CCOC[C@H]2c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,33.38,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;-2.05,-5.75,;-3.39,-4.98,;-4.72,-5.75,;-3.39,-3.44,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;3.96,1.75,;3.19,3.08,;1.65,3.08,;.88,4.41,;1.65,5.75,;3.19,5.75,;3.96,4.41,;5.5,4.41,;3.03,-4.21,;4.52,-4.61,)|
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Merck Sharp & Dohme Corp.

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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224216
PNG
(3-{6-(5- chloropyridin-3-yl)- 7-[(trans-4- methylc...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCO[C@H](C)[C@H]2c2ccccc2)CC1 |r,wU:4.4,32.36,wD:1.0,34.39,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;-2.05,-5.75,;-3.39,-4.98,;-4.72,-5.75,;-3.39,-3.44,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;6.27,3.08,;3.96,1.75,;3.19,3.08,;3.96,4.41,;3.19,5.75,;1.65,5.75,;.88,4.41,;1.65,3.08,;3.03,-4.21,;4.52,-4.61,)|
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Merck Sharp & Dohme Corp.

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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM223681
PNG
(3-(6-{[(1r)-1- cyclobutylethyl]amino}- 8-[2-(1-met...)
Show SMILES COC(C)(C)C1CCCN1c1nc2nc(nc(N[C@H](C)C3CCC3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:18.19,30.34,wD:27.30,(3.53,6.41,;4.3,5.07,;3.53,3.74,;1.99,3.74,;2.76,5.07,;4.3,2.41,;5.77,1.93,;5.77,.39,;4.3,-.09,;3.4,1.16,;1.86,1.16,;.95,2.41,;-.51,1.93,;-1.85,2.7,;-3.18,1.93,;-3.18,.39,;-1.85,-.38,;-1.85,-1.92,;-3.18,-2.69,;-4.51,-1.92,;-3.18,-4.23,;-4.27,-5.32,;-3.18,-6.41,;-2.09,-5.32,;-.51,.39,;.95,-.09,;1.35,-1.57,;2.84,-1.97,;3.24,-3.46,;4.72,-3.86,;5.81,-2.77,;7.3,-3.17,;5.41,-1.28,;3.93,-.88,;-4.51,2.7,;-5.76,1.8,;-7.01,2.7,;-6.53,4.17,;-7.3,5.5,;-4.99,4.17,)|
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Merck Sharp & Dohme Corp.

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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227695
PNG
(2-{1-[6-(5-chloropyridin- 3-yl)-7-[(trans-4- methy...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2ccccc2C#N)CC1 |r,wU:1.0,wD:4.4,(7.09,-3.69,;5.6,-3.29,;4.52,-4.38,;3.03,-3.98,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;4.52,-.13,;2.42,-.7,;3.96,1.97,;3.19,3.3,;3.96,4.64,;5.5,4.64,;6.27,3.3,;5.5,1.97,;6.27,.64,;7.04,-.7,;3.72,-1.41,;5.21,-1.81,)|
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Merck Sharp & Dohme Corp.

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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224107
PNG
(3-{6-(5- chloropyridin-3-yl)- 7-[(trans-4- methylc...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCOC[C@H]2c2ccccc2)CC1 |r,wU:4.4,wD:1.0,33.38,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;-2.05,-5.75,;-3.39,-4.98,;-4.72,-5.75,;-3.39,-3.44,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;3.96,1.75,;3.19,3.08,;3.96,4.41,;3.19,5.75,;1.65,5.75,;.88,4.41,;1.65,3.08,;3.03,-4.21,;4.52,-4.61,)|
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Merck Sharp & Dohme Corp.

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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM221499
PNG
(6-{[(1r)-1- cyclobutylethyl]amino}- 8-[(1-pyridin-...)
Show SMILES C[C@@H](Nc1nc(nc2nc(NC(C)c3ccccn3)n(Cc3ccc(cc3)C(F)(F)F)c12)C(O)=O)C1CCC1 |r|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224295
PNG
(6-{[(1r)-1-cyclobutylethyl]amino}- 7-[(trans-4-eth...)
Show SMILES CC[C@H]1CC[C@H](Cn2c(nc3nc(nc(N[C@H](C)C4CCC4)c23)C(O)=O)N2CCOC[C@H]2c2ccccc2)CC1 |r,wU:16.16,5.5,wD:2.1,31.35,(7.12,-2.12,;6.03,-3.21,;4.54,-2.81,;4.14,-1.32,;2.66,-.93,;1.57,-2.02,;.08,-1.62,;-.32,-.13,;.59,1.12,;-.32,2.36,;-1.78,1.89,;-3.12,2.66,;-4.45,1.89,;-4.45,.35,;-3.12,-.42,;-3.12,-1.96,;-4.45,-2.73,;-5.78,-1.96,;-4.45,-4.27,;-5.54,-5.36,;-4.45,-6.45,;-3.36,-5.36,;-1.78,.35,;-5.78,2.66,;-7.12,1.89,;-5.78,4.2,;2.13,1.12,;2.9,-.22,;4.44,-.22,;5.21,1.12,;4.44,2.45,;2.9,2.45,;2.13,3.78,;2.9,5.12,;2.13,6.45,;.59,6.45,;-.18,5.12,;.59,3.78,;1.97,-3.5,;3.45,-3.9,)|
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Merck Sharp & Dohme Corp.

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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50177232
PNG
(4-(3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cycl...)
Show SMILES Clc1ccc2C(N3CCN(C(C3)C(=O)NCCCn3ccnc3)C(=O)NC3CCCCC3)c3ncc(Br)cc3CCc2c1
Show InChI InChI=1S/C32H39BrClN7O2/c33-24-17-23-8-7-22-18-25(34)9-10-27(22)30(29(23)37-19-24)40-15-16-41(32(43)38-26-5-2-1-3-6-26)28(20-40)31(42)36-11-4-13-39-14-12-35-21-39/h9-10,12,14,17-19,21,26,28,30H,1-8,11,13,15-16,20H2,(H,36,42)(H,38,43)
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antibodypedia
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n/an/a 0.560n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against Ha-Ras processing in COS7 cells


Bioorg Med Chem Lett 16: 507-11 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.070
BindingDB Entry DOI: 10.7270/Q2M0450S
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224851
PNG
(3-(6-{[(1r)-1- cyclobutylethyl]amino}-8-[1- fluoro...)
Show SMILES C[C@@H](Nc1nc(nc2nc(n(C[C@H]3CC[C@H](C)CC3)c12)C(C)(F)c1ccccc1F)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,15.15,wD:12.11,(-4.72,-1.82,;-3.39,-2.59,;-2.05,-1.82,;-2.05,-.28,;-3.39,.49,;-3.39,2.03,;-2.05,2.8,;-.72,2.03,;.74,2.51,;1.65,1.26,;.74,.02,;1.14,-1.47,;2.63,-1.87,;3.03,-3.36,;4.52,-3.76,;5.6,-2.67,;7.09,-3.07,;5.21,-1.18,;3.72,-.78,;-.72,.49,;3.19,1.26,;4.52,.49,;3.19,-.28,;3.96,2.6,;5.5,2.6,;6.27,3.93,;5.5,5.26,;3.96,5.26,;3.19,3.93,;1.65,3.93,;-4.72,2.8,;-6.19,2.33,;-7.09,3.57,;-6.19,4.82,;-6.59,6.31,;-4.72,4.34,;-3.39,-4.13,;-4.48,-5.22,;-3.39,-6.31,;-2.3,-5.22,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM223674
PNG
(3-{8-[3-(2- chlorophenyl)morph- olin-4-yl]-6-{[(1r...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOCC3c3ccccc3Cl)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:25.26,1.0,wD:28.30,(-4.39,-1.96,;-3.06,-2.73,;-1.72,-1.96,;-1.72,-.42,;-3.06,.35,;-3.06,1.89,;-1.72,2.66,;-.39,1.89,;1.07,2.36,;1.98,1.12,;3.52,1.12,;4.29,-.22,;5.83,-.22,;6.6,1.12,;5.83,2.45,;4.29,2.45,;3.52,3.78,;1.98,3.78,;1.21,5.12,;1.98,6.45,;3.52,6.45,;4.29,5.12,;5.83,5.12,;1.07,-.13,;1.84,-1.46,;3.18,-2.23,;4.51,-1.46,;5.84,-2.23,;5.84,-3.77,;7.18,-4.54,;4.51,-4.54,;3.18,-3.77,;-.39,.35,;-4.39,2.66,;-5.64,1.75,;-6.88,2.66,;-6.41,4.12,;-7.18,5.45,;-4.87,4.12,;-3.06,-4.27,;-4.15,-5.36,;-3.06,-6.45,;-1.97,-5.36,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224214
PNG
(5-{6-(5- chloropyridin-3-yl)- 7-[(trans-4- methylc...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2n[nH]c(=O)o2)N2CCO[C@H](C)[C@H]2c2ccccc2)CC1 |r,wU:4.4,32.36,wD:1.0,34.39,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;-2.05,-5.75,;-3.39,-4.98,;-4.72,-5.75,;-3.39,-3.44,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;6.27,3.08,;3.96,1.75,;3.19,3.08,;3.96,4.41,;3.19,5.75,;1.65,5.75,;.88,4.41,;1.65,3.08,;3.03,-4.21,;4.52,-4.61,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224173
PNG
(3-{6-(5- chloropyridin-3-yl)- 8-[(3r)-3-(2- fluoro...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCOC[C@H]2c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,33.38,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;-2.05,-5.75,;-3.39,-4.98,;-4.72,-5.75,;-3.39,-3.44,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;3.96,1.75,;3.19,3.08,;1.65,3.08,;.88,4.41,;1.65,5.75,;3.19,5.75,;3.96,4.41,;5.5,4.41,;3.03,-4.21,;4.52,-4.61,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM223756
PNG
(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- m...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C(=O)NS(C)(=O)=O)C1CCC1 |r,wU:1.0,27.29,wD:24.25,15.16,(-3.91,-1.96,;-2.57,-2.73,;-1.24,-1.96,;-1.24,-.42,;-2.57,.35,;-2.57,1.89,;-1.24,2.66,;.09,1.89,;1.56,2.36,;2.46,1.12,;4,1.12,;4.77,-.22,;6.31,-.22,;7.08,1.12,;6.31,2.45,;4.77,2.45,;4,3.78,;4.77,5.12,;4,6.45,;2.46,6.45,;1.69,5.12,;2.46,3.78,;1.56,-.13,;1.96,-1.62,;3.45,-2.02,;3.84,-3.5,;5.33,-3.9,;6.42,-2.81,;7.91,-3.21,;6.02,-1.32,;4.53,-.93,;.09,.35,;-3.91,2.66,;-3.91,4.2,;-5.24,1.89,;-6.57,2.66,;-7.91,1.89,;-7.34,3.99,;-5.8,3.99,;-2.57,-4.27,;-3.66,-5.36,;-2.57,-6.45,;-1.48,-5.36,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224155
PNG
(3-{6-(5- chloropyridin-3-yl)- 7-[(trans-4- methylc...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCC[C@H]2C(F)(F)F)CC1 |r,wU:4.4,wD:1.0,32.37,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;4.09,-.61,;5.56,-.13,;5.56,1.41,;4.09,1.88,;3.32,3.21,;2.55,4.55,;1.99,2.44,;4.66,3.98,;3.03,-3.98,;4.52,-4.38,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227673
PNG
(5-{6-(5-chloropyridin-3- yl)-8-[1-(2,6- difluoroph...)
Show SMILES COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1n[nH]c(=O)o1)c1c(F)cccc1F |r,wU:21.23,wD:24.27,(4.93,-1.67,;4.93,-.13,;3.6,.64,;3.6,-.9,;2.06,.64,;1.16,1.88,;-.31,1.41,;-1.64,2.18,;-2.98,1.41,;-2.98,-.13,;-1.64,-.9,;-1.64,-2.44,;-.31,-3.21,;-.31,-4.75,;-1.64,-5.52,;-2.98,-4.75,;-4.31,-5.52,;-2.98,-3.21,;-.31,-.13,;1.16,-.61,;1.16,-2.15,;2.49,-2.92,;3.82,-2.15,;5.16,-2.92,;5.16,-4.46,;6.49,-5.23,;3.82,-5.23,;2.49,-4.46,;-4.31,2.18,;-5.78,1.7,;-6.68,2.95,;-5.78,4.19,;-6.55,5.52,;-4.31,3.72,;4.37,1.97,;3.6,3.3,;2.06,3.3,;4.37,4.64,;5.91,4.64,;6.68,3.3,;5.91,1.97,;6.68,.64,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224239
PNG
(3-{6-(5-chloro-2- methylpyridin-3-yl)- 7-[(trans-4...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cc(Cl)cnc4C)c23)-c2noc(=O)[nH]2)N2CCOC[C@H]2c2ccccc2)CC1 |r,wU:4.4,wD:1.0,34.39,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;.61,-5.75,;-2.05,-5.75,;-3.39,-4.98,;-3.39,-3.44,;-4.72,-2.67,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;3.96,1.75,;3.19,3.08,;3.96,4.41,;3.19,5.75,;1.65,5.75,;.88,4.41,;1.65,3.08,;3.03,-4.21,;4.52,-4.61,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224288
PNG
(5-(6-(5-chloropyridin-3-yl)-7-(1- ((trans)-4-methy...)
Show SMILES CC([C@H]1CC[C@H](C)CC1)n1c(nc2nc(nc(-c3cncc(Cl)c3)c12)-c1n[nH]c(=O)o1)N1CCOC[C@H]1c1ccccc1 |r,wU:5.5,wD:36.42,2.1,(.05,-3.41,;1.14,-2.32,;2.63,-2.72,;3.03,-4.21,;4.52,-4.61,;5.6,-3.52,;7.09,-3.92,;5.21,-2.03,;3.72,-1.63,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;-2.05,-5.75,;-3.39,-4.98,;-4.72,-5.75,;-3.39,-3.44,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.59,5.46,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;3.96,1.75,;3.19,3.08,;3.96,4.41,;3.19,5.75,;1.65,5.75,;.88,4.41,;1.65,3.08,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227658
PNG
(5-{8-[1-(3-chloro-2- fluorophenyl)-1- methoxyethyl...)
Show SMILES COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1n[nH]c(=O)o1)c1cccc(Cl)c1F |r,wU:21.23,wD:24.27,(6.39,-.92,;5.62,.41,;4.08,.41,;4.85,-.92,;2.42,.41,;1.51,1.66,;.05,1.18,;-1.28,1.95,;-2.62,1.18,;-2.62,-.36,;-1.28,-1.13,;-1.28,-2.67,;.05,-3.44,;.05,-4.98,;-1.28,-5.75,;-2.62,-4.98,;-3.95,-5.75,;-2.62,-3.44,;.05,-.36,;1.51,-.83,;1.91,-2.32,;3.4,-2.72,;4.49,-1.63,;5.98,-2.03,;6.37,-3.52,;7.86,-3.92,;5.29,-4.61,;3.8,-4.21,;-3.95,1.95,;-3.95,3.49,;-5.42,3.97,;-6.32,2.72,;-7.86,2.72,;-5.42,1.48,;4.85,1.75,;6.39,1.75,;7.16,3.08,;6.39,4.41,;4.85,4.41,;4.08,5.75,;4.08,3.08,;2.54,3.08,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM223200
PNG
(3-(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,27.29,wD:15.16,24.25,(-4.51,-1.96,;-3.18,-2.73,;-1.85,-1.96,;-1.85,-.42,;-3.18,.35,;-3.18,1.89,;-1.85,2.66,;-.51,1.89,;.95,2.36,;1.86,1.12,;3.4,1.12,;4.17,-.22,;5.71,-.22,;6.48,1.12,;5.71,2.45,;4.17,2.45,;3.4,3.78,;4.17,5.12,;3.4,6.45,;1.86,6.45,;1.09,5.12,;1.86,3.78,;.95,-.13,;1.35,-1.62,;2.84,-2.02,;3.24,-3.5,;4.72,-3.9,;5.81,-2.81,;7.3,-3.21,;5.41,-1.32,;3.93,-.93,;-.51,.35,;-4.51,2.66,;-5.76,1.75,;-7.01,2.66,;-6.53,4.12,;-7.3,5.45,;-4.99,4.12,;-3.18,-4.27,;-4.27,-5.36,;-3.18,-6.45,;-2.09,-5.36,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM223702
PNG
(3-(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCC[C@H]3C(F)(F)F)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,21.21,wD:24.25,14.15,(-3.96,-1.25,;-2.62,-2.02,;-1.29,-1.25,;-1.29,.29,;-2.62,1.06,;-2.62,2.6,;-1.29,3.37,;.05,2.6,;1.51,3.07,;2.42,1.83,;3.96,1.83,;4.86,.58,;6.33,1.06,;6.33,2.6,;4.86,3.07,;4.09,4.41,;4.86,5.74,;2.55,4.41,;3.32,5.74,;1.51,.58,;1.91,-.91,;3.4,-1.3,;4.49,-.22,;5.97,-.61,;6.37,-2.1,;7.86,-2.5,;5.28,-3.19,;3.8,-2.79,;.05,1.06,;-3.96,3.37,;-4.43,4.83,;-5.97,4.83,;-6.45,3.37,;-7.86,2.59,;-5.2,2.46,;-2.62,-3.56,;-3.71,-4.65,;-2.62,-5.74,;-1.53,-4.65,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224146
PNG
(3-{6-(3- chlorophenyl)-8-[2- (1-methoxy-1- methyle...)
Show SMILES COC(C)(C)C1CCCN1c1nc2nc(nc(-c3cccc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:27.30,wD:30.34,(5.58,5.25,;5.18,3.77,;3.7,3.37,;3.3,4.86,;2.21,2.97,;4.09,1.88,;5.56,1.41,;5.56,-.13,;4.09,-.61,;3.19,.64,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;.74,-.61,;1.14,-2.1,;2.63,-2.5,;3.72,-1.41,;5.21,-1.81,;5.6,-3.29,;7.09,-3.69,;4.52,-4.38,;3.03,-3.98,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224323
PNG
(3-{6-(5-chloropyridin-3-yl)-7-[1- (trans-4-methylc...)
Show SMILES CC([C@H]1CC[C@H](C)CC1)n1c(nc2nc(nc(-c3cncc(Cl)c3)c12)-c1noc(=O)[nH]1)N1CCC[C@H]1C(F)(F)F |r,wU:5.5,wD:2.1,35.41,(.82,-2.85,;1.91,-1.76,;3.4,-2.16,;3.8,-3.65,;5.29,-4.05,;6.37,-2.96,;7.86,-3.36,;5.98,-1.47,;4.49,-1.07,;1.51,-.28,;2.42,.97,;1.51,2.22,;.05,1.74,;-1.28,2.51,;-2.62,1.74,;-2.62,.2,;-1.28,-.57,;-1.28,-2.11,;.05,-2.88,;.05,-4.42,;-1.28,-5.19,;-2.62,-4.42,;-3.95,-5.19,;-2.62,-2.88,;.05,.2,;-3.95,2.51,;-3.95,4.05,;-5.42,4.53,;-6.32,3.28,;-7.86,3.28,;-5.42,2.03,;3.96,.97,;4.86,-.28,;6.33,.2,;6.33,1.74,;4.86,2.22,;4.47,3.7,;5.55,4.79,;4.07,5.19,;2.98,4.1,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227671
PNG
(5-{6-(5-chloropyridin-3- yl)-8-[1-(3-fluoropyridin...)
Show SMILES COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1n[nH]c(=O)o1)c1ncccc1F |r,wU:21.23,wD:24.27,(5.5,-.7,;3.96,-.7,;3.19,.64,;4.73,.64,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;.74,-.61,;1.14,-2.1,;2.63,-2.5,;3.72,-1.41,;5.21,-1.81,;5.6,-3.29,;7.09,-3.69,;4.52,-4.38,;3.03,-3.98,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224103
PNG
(6-(3-chlorophenyl)-7- [(trans-4- methylcyclohexyl)...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cccc(Cl)c4)c23)C(O)=O)N2CCOC[C@H]2c2ccccc2)CC1 |r,wU:4.4,wD:1.0,30.34,(6.57,-3.92,;5.09,-3.52,;4.69,-2.03,;3.2,-1.63,;2.11,-2.72,;.62,-2.32,;.23,-.83,;1.13,.41,;.23,1.66,;-1.24,1.18,;-2.57,1.95,;-3.91,1.18,;-3.91,-.36,;-2.57,-1.13,;-2.57,-2.67,;-1.24,-3.44,;-1.24,-4.98,;-2.57,-5.75,;-3.91,-4.98,;-5.24,-5.75,;-3.91,-3.44,;-1.24,-.36,;-5.24,1.95,;-6.57,1.18,;-5.24,3.49,;2.67,.41,;3.44,-.92,;4.98,-.92,;5.75,.41,;4.98,1.75,;3.44,1.75,;2.67,3.08,;3.44,4.41,;2.67,5.75,;1.13,5.75,;.36,4.41,;1.13,3.08,;2.51,-4.21,;4,-4.61,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224240
PNG
(5-{6-(5-chloro-2- methylpyridin-3-yl)- 7-[(trans-4...)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cc(Cl)cnc4C)c23)-c2n[nH]c(=O)o2)N2CCOC[C@H]2c2ccccc2)CC1 |r,wU:4.4,wD:1.0,34.39,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;.61,-5.75,;-2.05,-5.75,;-3.39,-4.98,;-3.39,-3.44,;-4.72,-2.67,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;3.96,1.75,;3.19,3.08,;3.96,4.41,;3.19,5.75,;1.65,5.75,;.88,4.41,;1.65,3.08,;3.03,-4.21,;4.52,-4.61,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM227694
PNG
(2-{[6-(5-chloropyridin-3- yl)-7-[(trans-4- methylc...)
Show SMILES COC(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1)c1ccccc1C#N |r,wU:23.26,wD:20.22,(5.5,-.7,;3.96,-.7,;3.19,.64,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;.74,-.61,;1.14,-2.1,;2.63,-2.5,;3.03,-3.98,;4.52,-4.38,;5.6,-3.29,;7.09,-3.69,;5.21,-1.81,;3.72,-1.41,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.96,1.97,;3.19,3.3,;3.96,4.64,;5.5,4.64,;6.27,3.3,;5.5,1.97,;6.27,.64,;7.04,-.7,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM221505
PNG
(6-{[(1r)-1- cyclobutylethyl]amino}- 8-{[(1s)-1-(3-...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N[C@@H](C)c3cccc(F)c3)n(Cc3ccc(cc3)C(F)(F)F)c12)C(O)=O)C1CCC1 |r|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM224650
PNG
(3-[6-{[(1r)-1- cyclobutylethyl]amino}-7- [(trans-4...)
Show SMILES C[C@@H](Nc1nc(nc2nc(Sc3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,19.19,wD:22.23,(-4.31,-1.82,;-2.98,-2.59,;-1.64,-1.82,;-1.64,-.28,;-2.98,.49,;-2.98,2.03,;-1.64,2.8,;-.31,2.03,;1.16,2.51,;2.06,1.26,;3.6,1.26,;4.37,2.6,;5.91,2.6,;6.68,3.93,;5.91,5.26,;4.37,5.26,;3.6,3.93,;1.16,.02,;1.16,-1.52,;2.49,-2.29,;3.82,-1.52,;5.16,-2.29,;5.16,-3.83,;6.49,-4.6,;3.82,-4.6,;2.49,-3.83,;-.31,.49,;-4.31,2.8,;-5.78,2.33,;-6.68,3.57,;-5.78,4.82,;-6.17,6.31,;-4.31,4.34,;-2.98,-4.13,;-4.07,-5.22,;-2.98,-6.31,;-1.89,-5.22,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM223736
PNG
(3-(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCO[C@H](C)[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,25.26,14.14,wD:28.30,16.17,(-4.51,-1.96,;-3.18,-2.73,;-1.85,-1.96,;-1.85,-.42,;-3.18,.35,;-3.18,1.89,;-1.85,2.66,;-.51,1.89,;.95,2.36,;1.86,1.12,;3.4,1.12,;4.17,-.22,;5.71,-.22,;6.48,1.12,;5.71,2.45,;6.48,3.78,;4.17,2.45,;3.4,3.78,;4.17,5.12,;3.4,6.45,;1.86,6.45,;1.09,5.12,;1.86,3.78,;.95,-.13,;1.35,-1.62,;2.84,-2.02,;3.93,-.93,;5.41,-1.32,;5.81,-2.81,;7.3,-3.21,;4.72,-3.9,;3.24,-3.5,;-.51,.35,;-4.51,2.66,;-5.76,1.75,;-7.01,2.66,;-6.53,4.12,;-7.3,5.45,;-4.99,4.12,;-3.18,-4.27,;-4.27,-5.36,;-3.18,-6.45,;-2.09,-5.36,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM223714
PNG
(3-(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOC[C@H]3c3ccccn3)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,24.25,wD:27.29,15.16,(-4.51,-1.96,;-3.18,-2.73,;-1.85,-1.96,;-1.85,-.42,;-3.18,.35,;-3.18,1.89,;-1.85,2.66,;-.51,1.89,;.95,2.36,;1.86,1.12,;3.4,1.12,;4.17,-.22,;5.71,-.22,;6.48,1.12,;5.71,2.45,;4.17,2.45,;3.4,3.78,;1.86,3.78,;1.09,5.12,;1.86,6.45,;3.4,6.45,;4.17,5.12,;.95,-.13,;1.35,-1.62,;2.84,-2.02,;3.93,-.93,;5.41,-1.32,;5.81,-2.81,;7.3,-3.21,;4.72,-3.9,;3.24,-3.5,;-.51,.35,;-4.51,2.66,;-5.76,1.75,;-7.01,2.66,;-6.53,4.12,;-7.3,5.45,;-4.99,4.12,;-3.18,-4.27,;-4.27,-5.36,;-3.18,-6.45,;-2.09,-5.36,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM223703
PNG
(3-(6-{[(1r)-1- cyclobutylethyl]amino}- 8-[(3r,5r)-...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3[C@H](C)COC[C@H]3C)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:20.20,1.0,11.11,wD:23.24,16.17,(-4.39,-1.47,;-3.06,-2.24,;-1.72,-1.47,;-1.72,.07,;-3.06,.84,;-3.06,2.38,;-1.72,3.15,;-.39,2.38,;1.07,2.86,;1.98,1.61,;3.34,1.61,;4.11,.28,;3.34,-1.05,;5.65,.28,;6.42,1.61,;5.65,2.95,;4.11,2.95,;3.34,4.28,;1.07,.37,;1.84,-.96,;3.18,-1.73,;4.51,-.96,;5.84,-1.73,;5.84,-3.27,;7.18,-4.04,;4.51,-4.04,;3.18,-3.27,;-.39,.84,;-4.39,3.15,;-5.64,2.25,;-6.88,3.15,;-6.41,4.62,;-7.18,5.95,;-4.87,4.62,;-3.06,-3.78,;-4.15,-4.86,;-3.06,-5.95,;-1.97,-4.86,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM223737
PNG
(5-(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCO[C@H](C)[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)-c1n[nH]c(=O)o1)C1CCC1 |r,wU:1.0,25.26,14.14,wD:28.30,16.17,(-4.51,-1.96,;-3.18,-2.73,;-1.85,-1.96,;-1.85,-.42,;-3.18,.35,;-3.18,1.89,;-1.85,2.66,;-.51,1.89,;.95,2.36,;1.86,1.12,;3.4,1.12,;4.17,-.22,;5.71,-.22,;6.48,1.12,;5.71,2.45,;6.48,3.78,;4.17,2.45,;3.4,3.78,;4.17,5.12,;3.4,6.45,;1.86,6.45,;1.09,5.12,;1.86,3.78,;.95,-.13,;1.35,-1.62,;2.84,-2.02,;3.93,-.93,;5.41,-1.32,;5.81,-2.81,;7.3,-3.21,;4.72,-3.9,;3.24,-3.5,;-.51,.35,;-4.51,2.66,;-5.76,1.75,;-7.01,2.66,;-6.53,4.12,;-7.3,5.45,;-4.99,4.12,;-3.18,-4.27,;-4.27,-5.36,;-3.18,-6.45,;-2.09,-5.36,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM223669
PNG
(3-[6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOC4CCCCC34)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:22.23,1.0,wD:25.27,(-4.1,-1.47,;-2.77,-2.24,;-1.44,-1.47,;-1.44,.07,;-2.77,.84,;-2.77,2.38,;-1.44,3.15,;-.1,2.38,;1.36,2.86,;2.27,1.61,;3.81,1.61,;4.58,.28,;6.12,.28,;6.89,1.61,;6.12,2.95,;6.89,4.28,;6.12,5.62,;4.58,5.62,;3.81,4.28,;4.58,2.95,;1.36,.37,;1.36,-1.17,;2.7,-1.94,;4.03,-1.17,;5.36,-1.94,;5.36,-3.48,;6.7,-4.25,;4.03,-4.25,;2.7,-3.48,;-.1,.84,;-4.1,3.15,;-5.35,2.25,;-6.59,3.15,;-6.12,4.62,;-6.89,5.95,;-4.58,4.62,;-2.77,-3.78,;-3.86,-4.86,;-2.77,-5.95,;-1.68,-4.86,)|
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US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM103302
PNG
(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
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MMDB

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Merck Sharp & Dohme

US Patent


Assay Description
Activated ERK2 activity was determined in the IMAP assay format.


US Patent US8546404 (2013)


BindingDB Entry DOI: 10.7270/Q2959G61
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50079090
PNG
(CHEMBL90435 | [(4-{2-[4-((R)-3,10-Dibromo-8-chloro...)
Show SMILES OC(=O)CNC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
Show InChI InChI=1S/C29H33Br2ClN4O4/c30-21-12-20-2-1-19-13-22(32)14-23(31)26(19)27(28(20)33-15-21)18-5-9-35(10-6-18)24(37)11-17-3-7-36(8-4-17)29(40)34-16-25(38)39/h12-15,17-18,27H,1-11,16H2,(H,34,40)(H,38,39)/t27-/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Hras Farnesyltransferase (FPT).


J Med Chem 42: 2651-61 (1999)


Article DOI: 10.1021/jm990059k
BindingDB Entry DOI: 10.7270/Q2ST7P2V
More data for this
Ligand-Target Pair
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