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Compile Data Set for Download or QSAR

Found 4314 hits with Last Name = 'fu' and Initial = 'z'   
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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50326659
PNG
(3,10-dimethoxy-17-methyl-(10S)-17-azatetracyclo[7....)
Show SMILES COc1cccc2C[C@H]3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-20-10-9-18-12-14(21)7-8-19(18,23-3)16(20)11-13-5-4-6-15(22-2)17(13)18/h4-6,16H,7-12H2,1-3H3/t16-,18-,19-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]DAMGO from mu receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50285003
PNG
(3,10-dimethoxy-17-phenethyl-17-azatetracyclo[7.5.3...)
Show SMILES COc1cccc2CC3N(CCc4ccccc4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r,TLB:5:6:26:9.19.18,2:29:26:9.19.18|
Show InChI InChI=1S/C26H31NO3/c1-29-22-10-6-9-20-17-23-26(30-2)13-11-21(28)18-25(26,24(20)22)14-16-27(23)15-12-19-7-4-3-5-8-19/h3-10,23H,11-18H2,1-2H3/t23?,25-,26-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]DAMGO from mu receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50302828
PNG
(2-(4-(4-(butylcarbamoyl)-2-(2,4-dichlorophenylsulf...)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-9-21(37-22-8-5-16(13-25(31)32)12-23(22)36-2)20(14-17)30-38(34,35)24-10-7-18(27)15-19(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
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1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PGD2-induced CRTH2 receptor internalization of CD16 negative granulocytes in human whole blood by flow cytometry


Bioorg Med Chem Lett 19: 6419-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.052
BindingDB Entry DOI: 10.7270/Q25Q4X20
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326659
PNG
(3,10-dimethoxy-17-methyl-(10S)-17-azatetracyclo[7....)
Show SMILES COc1cccc2C[C@H]3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-20-10-9-18-12-14(21)7-8-19(18,23-3)16(20)11-13-5-4-6-15(22-2)17(13)18/h4-6,16H,7-12H2,1-3H3/t16-,18-,19-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]-U-69,593 from kappa receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50229378
PNG
((R)-N-(1-(3-(4-cyanophenyl)H-imidazo[1,2-a]pyridin...)
Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ccccn2c1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H26F4N4O3S/c1-3-41(39,40)15-14-36(26(38)17-21-9-12-24(30)23(16-21)29(31,32)33)19(2)27-28(22-10-7-20(18-34)8-11-22)37-13-5-4-6-25(37)35-27/h4-13,16,19H,3,14-15,17H2,1-2H3/t19-/m1/s1
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3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IP-10 from CXCR3 receptor expressed in human PBMC in RPMI-1640 buffer supplemented with 0.5% BSA


Bioorg Med Chem Lett 18: 688-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.060
BindingDB Entry DOI: 10.7270/Q2WQ03HW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50148071
PNG
((-)-N-(Cycloproylmethyl)-4,14-dimethoxymorphinan-6...)
Show SMILES COc1cccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22-/m1/s1
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]DAMGO from mu receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E (eIF4E)


(Homo sapiens (Human))
BDBM50316302
PNG
(((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-...)
Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 |r|
Show InChI InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/t4-,6-,7-,10-/m1/s1
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28n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]m7-GTP binding to human FLAG-His6 tagged eIF4E expressed in Escherichia coli by scintillation proximity assay


J Med Chem 55: 3837-51 (2012)


Article DOI: 10.1021/jm300037x
BindingDB Entry DOI: 10.7270/Q27082GX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50326659
PNG
(3,10-dimethoxy-17-methyl-(10S)-17-azatetracyclo[7....)
Show SMILES COc1cccc2C[C@H]3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-20-10-9-18-12-14(21)7-8-19(18,23-3)16(20)11-13-5-4-6-15(22-2)17(13)18/h4-6,16H,7-12H2,1-3H3/t16-,18-,19-/m1/s1
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46n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]DPDPE from delta receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50285003
PNG
(3,10-dimethoxy-17-phenethyl-17-azatetracyclo[7.5.3...)
Show SMILES COc1cccc2CC3N(CCc4ccccc4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r,TLB:5:6:26:9.19.18,2:29:26:9.19.18|
Show InChI InChI=1S/C26H31NO3/c1-29-22-10-6-9-20-17-23-26(30-2)13-11-21(28)18-25(26,24(20)22)14-16-27(23)15-12-19-7-4-3-5-8-19/h3-10,23H,11-18H2,1-2H3/t23?,25-,26-/m1/s1
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49n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]DPDPE from delta receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50148071
PNG
((-)-N-(Cycloproylmethyl)-4,14-dimethoxymorphinan-6...)
Show SMILES COc1cccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22-/m1/s1
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61n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]-U-69,593 from kappa receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50148071
PNG
((-)-N-(Cycloproylmethyl)-4,14-dimethoxymorphinan-6...)
Show SMILES COc1cccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r|
Show InChI InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22-/m1/s1
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105n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]DPDPE from delta receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50302828
PNG
(2-(4-(4-(butylcarbamoyl)-2-(2,4-dichlorophenylsulf...)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-9-21(37-22-8-5-16(13-25(31)32)12-23(22)36-2)20(14-17)30-38(34,35)24-10-7-18(27)15-19(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
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148n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at DP receptor in human platelets assessed as inhibition of PGD2-induced cAMP production by competitive ELISA


Bioorg Med Chem Lett 19: 6419-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.052
BindingDB Entry DOI: 10.7270/Q25Q4X20
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50285003
PNG
(3,10-dimethoxy-17-phenethyl-17-azatetracyclo[7.5.3...)
Show SMILES COc1cccc2CC3N(CCc4ccccc4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r,TLB:5:6:26:9.19.18,2:29:26:9.19.18|
Show InChI InChI=1S/C26H31NO3/c1-29-22-10-6-9-20-17-23-26(30-2)13-11-21(28)18-25(26,24(20)22)14-16-27(23)15-12-19-7-4-3-5-8-19/h3-10,23H,11-18H2,1-2H3/t23?,25-,26-/m1/s1
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690n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity by its ability to displace [3H]-U-69,593 from kappa receptor in homogenates of guinea pig brain


Bioorg Med Chem Lett 5: 1923-1926 (1995)


Article DOI: 10.1016/0960-894X(95)00325-N
BindingDB Entry DOI: 10.7270/Q2FX79XF
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50130929
PNG
(CHEMBL3633189)
Show SMILES NC(=N)c1ccc(Nc2ncnc(Nc3ccc(cc3)C#N)c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H14N8O2/c19-9-11-1-5-13(6-2-11)24-17-15(26(27)28)18(23-10-22-17)25-14-7-3-12(4-8-14)16(20)21/h1-8,10H,(H3,20,21)(H2,22,23,24,25)
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1.70E+3n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1


Bioorg Med Chem Lett 25: 5449-53 (2015)


BindingDB Entry DOI: 10.7270/Q2R2136F
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50302828
PNG
(2-(4-(4-(butylcarbamoyl)-2-(2,4-dichlorophenylsulf...)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-9-21(37-22-8-5-16(13-25(31)32)12-23(22)36-2)20(14-17)30-38(34,35)24-10-7-18(27)15-19(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
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4.40E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of EP2 expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP production


Bioorg Med Chem Lett 19: 6419-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.052
BindingDB Entry DOI: 10.7270/Q25Q4X20
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50302828
PNG
(2-(4-(4-(butylcarbamoyl)-2-(2,4-dichlorophenylsulf...)
Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-9-21(37-22-8-5-16(13-25(31)32)12-23(22)36-2)20(14-17)30-38(34,35)24-10-7-18(27)15-19(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)
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4.40E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of EP4 expressed in HEK293 cells assessed as inhibition of PGE2-induced cAMP production


Bioorg Med Chem Lett 19: 6419-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.052
BindingDB Entry DOI: 10.7270/Q25Q4X20
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215343
PNG
(US9296736, 311 | US9296736, 312 | US9593129, Examp...)
Show SMILES CC[C@@H](C)S(=O)(=O)C[C@H](CC)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H35Cl2NO5S/c1-5-18(3)37(35,36)17-23(6-2)31-26(19-10-12-21(29)13-11-19)24(20-8-7-9-22(30)14-20)15-28(4,27(31)34)16-25(32)33/h7-14,18,23-24,26H,5-6,15-17H2,1-4H3,(H,32,33)/t18-,23+,24-,26-,28-/m1/s1
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US Patent
n/an/a 0.100n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448945
PNG
(CHEMBL3125521 | US9296736, 381 | US9593129, Exampl...)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)N2CCCC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C29H34Cl2N2O5S/c1-29(17-26(34)35)16-24(21-5-4-6-23(31)15-21)27(20-9-11-22(30)12-10-20)33(28(29)36)25(19-7-8-19)18-39(37,38)32-13-2-3-14-32/h4-6,9-12,15,19,24-25,27H,2-3,7-8,13-14,16-18H2,1H3,(H,34,35)/t24-,25-,27-,29-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Amgen, Inc.

US Patent




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MDM2 and p53


(Homo sapiens (Human))
BDBM215354
PNG
(US9296736, 322 | US9593129, Example 322)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)CC2CC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H33Cl2NO5S/c1-29(15-26(33)34)14-24(21-3-2-4-23(31)13-21)27(20-9-11-22(30)12-10-20)32(28(29)35)25(19-7-8-19)17-38(36,37)16-18-5-6-18/h2-4,9-13,18-19,24-25,27H,5-8,14-17H2,1H3,(H,33,34)/t24-,25-,27-,29-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215366
PNG
(US9296736, 334 | US9593129, Example 334)
Show SMILES CC[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C2CCCCC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C32H39Cl2NO5S/c1-2-32(19-29(36)37)18-27(23-7-6-8-25(34)17-23)30(22-13-15-24(33)16-14-22)35(31(32)38)28(21-11-12-21)20-41(39,40)26-9-4-3-5-10-26/h6-8,13-17,21,26-28,30H,2-5,9-12,18-20H2,1H3,(H,36,37)/t27-,28-,30-,32-/m1/s1
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n/an/a 0.100n/an/an/an/a7.425



Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM50448936
PNG
(CHEMBL3125527 | US9296736, 342 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H35Cl2NO5S/c1-6-22(17-37(35,36)27(2,3)4)31-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(31)34)16-24(32)33/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,32,33)/t22-,23+,25+,28+/m0/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MDM2 and p53


(Homo sapiens (Human))
BDBM215370
PNG
(US9296736, 346 | US9593129, Example 346)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](CC)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H37Cl2NO5S/c1-6-23(18-38(36,37)28(3,4)5)32-26(19-11-13-21(30)14-12-19)24(20-9-8-10-22(31)15-20)16-29(7-2,27(32)35)17-25(33)34/h8-15,23-24,26H,6-7,16-18H2,1-5H3,(H,33,34)/t23-,24+,26+,29+/m0/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215373
PNG
(US9296736, 349 | US9593129, Example 349)
Show SMILES CCS(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C27H31Cl2NO5S/c1-3-36(34,35)16-23(17-7-8-17)30-25(18-9-11-20(28)12-10-18)22(19-5-4-6-21(29)13-19)14-27(2,26(30)33)15-24(31)32/h4-6,9-13,17,22-23,25H,3,7-8,14-16H2,1-2H3,(H,31,32)/t22-,23-,25-,27-/s2
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM50448959
PNG
(CHEMBL3125697 | US9296736, 350 | US9593129, Exampl...)
Show SMILES CC(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H33Cl2NO5S/c1-17(2)37(35,36)16-24(18-7-8-18)31-26(19-9-11-21(29)12-10-19)23(20-5-4-6-22(30)13-20)14-28(3,27(31)34)15-25(32)33/h4-6,9-13,17-18,23-24,26H,7-8,14-16H2,1-3H3,(H,32,33)/t23-,24-,26-,28-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM50448963
PNG
(CHEMBL3125537 | US9296736, 351 | US9593129, Exampl...)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H35Cl2NO5S/c1-28(2,3)38(36,37)17-24(18-8-9-18)32-26(19-10-12-21(30)13-11-19)23(20-6-5-7-22(31)14-20)15-29(4,27(32)35)16-25(33)34/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H,33,34)/t23-,24-,26-,29-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215375
PNG
(US9296736, 353 | US9593129, Example 353)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C2CC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C28H31Cl2NO5S/c1-28(15-25(32)33)14-23(19-3-2-4-21(30)13-19)26(18-7-9-20(29)10-8-18)31(27(28)34)24(17-5-6-17)16-37(35,36)22-11-12-22/h2-4,7-10,13,17,22-24,26H,5-6,11-12,14-16H2,1H3,(H,32,33)/t23-,24-,26-,28-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM50448955
PNG
(CHEMBL3125701 | US9296736, 354 | US9593129, Exampl...)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(C)(=O)=O)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H29Cl2NO5S/c1-26(14-23(30)31)13-21(18-4-3-5-20(28)12-18)24(17-8-10-19(27)11-9-17)29(25(26)32)22(16-6-7-16)15-35(2,33)34/h3-5,8-12,16,21-22,24H,6-7,13-15H2,1-2H3,(H,30,31)/t21-,22-,24-,26-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215379
PNG
(US9296736, 358 | US9593129, Example 358)
Show SMILES CC[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)C)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H35Cl2NO5S/c1-4-29(16-26(33)34)15-24(21-6-5-7-23(31)14-21)27(20-10-12-22(30)13-11-20)32(28(29)35)25(19-8-9-19)17-38(36,37)18(2)3/h5-7,10-14,18-19,24-25,27H,4,8-9,15-17H2,1-3H3,(H,33,34)/t24-,25-,27-,29-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215385
PNG
(US9296736, 366 | US9593129, Example 366)
Show SMILES CCC(CC)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C30H37Cl2NO5S/c1-4-24(5-2)39(37,38)18-26(19-9-10-19)33-28(20-11-13-22(31)14-12-20)25(21-7-6-8-23(32)15-21)16-30(3,29(33)36)17-27(34)35/h6-8,11-15,19,24-26,28H,4-5,9-10,16-18H2,1-3H3,(H,34,35)/t25-,26-,28-,30-/s2
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215390
PNG
(US9296736, 371 | US9593129, Example 371)
Show SMILES CC[C@@H]([C@H](C)S(=O)(=O)CC)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C27H33Cl2NO5S/c1-5-23(17(3)36(34,35)6-2)30-25(18-10-12-20(28)13-11-18)22(19-8-7-9-21(29)14-19)15-27(4,26(30)33)16-24(31)32/h7-14,17,22-23,25H,5-6,15-16H2,1-4H3,(H,31,32)/t17-,22+,23-,25+,27+/s2
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215307
PNG
(US9296736, 268 | US9593129, Example 268)
Show SMILES CCS(=O)(=O)N(C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(F)F
Show InChI InChI=1S/C28H32Cl2F2N2O5S/c1-3-40(38,39)33(27(31)32)16-23(17-7-8-17)34-25(18-9-11-20(29)12-10-18)22(19-5-4-6-21(30)13-19)14-28(2,26(34)37)15-24(35)36/h4-6,9-13,17,22-23,25,27H,3,7-8,14-16H2,1-2H3,(H,35,36)/t22-,23-,25-,28-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215308
PNG
(US9296736, 269 | US9593129, Example 269)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CN(C(F)F)S(=O)(=O)C2CC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H32Cl2F2N2O5S/c1-29(15-25(36)37)14-23(19-3-2-4-21(31)13-19)26(18-7-9-20(30)10-8-18)35(27(29)38)24(17-5-6-17)16-34(28(32)33)41(39,40)22-11-12-22/h2-4,7-10,13,17,22-24,26,28H,5-6,11-12,14-16H2,1H3,(H,36,37)/t23-,24-,26-,29-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215310
PNG
(US9296736, 272)
Show SMILES CCS(=O)(=O)N(C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccccc1F |r|
Show InChI InChI=1/C33H35Cl2FN2O5S/c1-3-44(42,43)37(28-10-5-4-9-27(28)36)20-29(21-11-12-21)38-31(22-13-15-24(34)16-14-22)26(23-7-6-8-25(35)17-23)18-33(2,32(38)41)19-30(39)40/h4-10,13-17,21,26,29,31H,3,11-12,18-20H2,1-2H3,(H,39,40)/t26-,29-,31-,33-/s2
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM215307
PNG
(US9296736, 268 | US9593129, Example 268)
Show SMILES CCS(=O)(=O)N(C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(F)F
Show InChI InChI=1S/C28H32Cl2F2N2O5S/c1-3-40(38,39)33(27(31)32)16-23(17-7-8-17)34-25(18-9-11-20(29)12-10-18)22(19-5-4-6-21(30)13-19)14-28(2,26(34)37)15-24(35)36/h4-6,9-13,17,22-23,25,27H,3,7-8,14-16H2,1-2H3,(H,35,36)/t22-,23-,25-,28-/m1/s1
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Amgen, Inc.

US Patent




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM215308
PNG
(US9296736, 269 | US9593129, Example 269)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CN(C(F)F)S(=O)(=O)C2CC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H32Cl2F2N2O5S/c1-29(15-25(36)37)14-23(19-3-2-4-21(31)13-19)26(18-7-9-20(30)10-8-18)35(27(29)38)24(17-5-6-17)16-34(28(32)33)41(39,40)22-11-12-22/h2-4,7-10,13,17,22-24,26,28H,5-6,11-12,14-16H2,1H3,(H,36,37)/t23-,24-,26-,29-/m1/s1
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Amgen, Inc.

US Patent




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM299594
PNG
(2-((3R,5R,6S)-5-(3-Chlorophenyl)-6-(4-chlorophenyl...)
Show SMILES CCS(=O)(=O)N(C[C@H](C1CC1)N1C([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccccc1F |r|
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Amgen, Inc.

US Patent




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM215340
PNG
(US9296736, 308 | US9593129, Example 308)
Show SMILES CC[C@@H](CS(=O)(=O)CC1(C)COC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H35Cl2NO6S/c1-4-23(15-39(36,37)18-28(2)16-38-17-28)32-26(19-8-10-21(30)11-9-19)24(20-6-5-7-22(31)12-20)13-29(3,27(32)35)14-25(33)34/h5-12,23-24,26H,4,13-18H2,1-3H3,(H,33,34)/t23-,24+,26+,29+/m0/s1
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Amgen, Inc.

US Patent




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM215343
PNG
(US9296736, 311 | US9296736, 312 | US9593129, Examp...)
Show SMILES CC[C@@H](C)S(=O)(=O)C[C@H](CC)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H35Cl2NO5S/c1-5-18(3)37(35,36)17-23(6-2)31-26(19-10-12-21(29)13-11-19)24(20-8-7-9-22(30)14-20)15-28(4,27(31)34)16-25(32)33/h7-14,18,23-24,26H,5-6,15-17H2,1-4H3,(H,32,33)/t18-,23+,24-,26-,28-/m1/s1
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Amgen, Inc.

US Patent




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM215346
PNG
(US9296736, 314 | US9593129, Example 314)
Show SMILES CC1(CS(=O)(=O)C[C@H](C2CC2)N2[C@@H]([C@H](C[C@](C)(CC(O)=O)C2=O)c2cccc(Cl)c2)c2ccc(Cl)cc2)COC1
Show InChI InChI=1S/C30H35Cl2NO6S/c1-29(16-39-17-29)18-40(37,38)15-25(19-6-7-19)33-27(20-8-10-22(31)11-9-20)24(21-4-3-5-23(32)12-21)13-30(2,28(33)36)14-26(34)35/h3-5,8-12,19,24-25,27H,6-7,13-18H2,1-2H3,(H,34,35)/t24-,25-,27-,30-/m1/s1
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Amgen, Inc.

US Patent




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM215354
PNG
(US9296736, 322 | US9593129, Example 322)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)CC2CC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H33Cl2NO5S/c1-29(15-26(33)34)14-24(21-3-2-4-23(31)13-21)27(20-9-11-22(30)12-10-20)32(28(29)35)25(19-7-8-19)17-38(36,37)16-18-5-6-18/h2-4,9-13,18-19,24-25,27H,5-8,14-17H2,1H3,(H,33,34)/t24-,25-,27-,29-/m1/s1
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Amgen, Inc.

US Patent




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215394
PNG
(US9296736, 375 | US9593129, Example 375)
Show SMILES CC(C)(C)NS(=O)(=O)C[C@H](C1CC1)N1C([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C29H36Cl2N2O5S/c1-28(2,3)32-39(37,38)17-24(18-8-9-18)33-26(19-10-12-21(30)13-11-19)23(20-6-5-7-22(31)14-20)15-29(4,27(33)36)16-25(34)35/h5-7,10-14,18,23-24,26,32H,8-9,15-17H2,1-4H3,(H,34,35)/t23-,24-,26?,29-/s2
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM50053040
PNG
(CHEMBL3318760 | US9296736, 378 | US9593129, Exampl...)
Show SMILES CC(C)NS(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C28H34Cl2N2O5S/c1-17(2)31-38(36,37)16-24(18-7-8-18)32-26(19-9-11-21(29)12-10-19)23(20-5-4-6-22(30)13-20)14-28(3,27(32)35)15-25(33)34/h4-6,9-13,17-18,23-24,26,31H,7-8,14-16H2,1-3H3,(H,33,34)/t23-,24-,26-,28-/s2
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM50053052
PNG
(CHEMBL3318767 | US9296736, 379 | US9593129, Exampl...)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)N2CCOCC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1/C29H34Cl2N2O6S/c1-29(17-26(34)35)16-24(21-3-2-4-23(31)15-21)27(20-7-9-22(30)10-8-20)33(28(29)36)25(19-5-6-19)18-40(37,38)32-11-13-39-14-12-32/h2-4,7-10,15,19,24-25,27H,5-6,11-14,16-18H2,1H3,(H,34,35)/t24-,25-,27-,29-/s2
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM50448945
PNG
(CHEMBL3125521 | US9296736, 381 | US9593129, Exampl...)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)N2CCCC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C29H34Cl2N2O5S/c1-29(17-26(34)35)16-24(21-5-4-6-23(31)15-21)27(20-9-11-22(30)12-10-20)33(28(29)36)25(19-7-8-19)18-39(37,38)32-13-2-3-14-32/h4-6,9-12,15,19,24-25,27H,2-3,7-8,13-14,16-18H2,1H3,(H,34,35)/t24-,25-,27-,29-/m1/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MDM2 and p53


(Homo sapiens (Human))
BDBM215410
PNG
(US9296736, 398 | US9593129, Example 398)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H34Cl2FNO5S/c1-6-22(16-38(36,37)27(2,3)4)32-25(17-7-9-19(29)10-8-17)23(18-11-20(30)13-21(31)12-18)14-28(5,26(32)35)15-24(33)34/h7-13,22-23,25H,6,14-16H2,1-5H3,(H,33,34)/t22-,23+,25+,28+/m0/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215412
PNG
(US9296736, 399 | US9593129, Example 399)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H32Cl2FNO5S/c1-5-22(15-37(35,36)16(2)3)31-25(17-6-8-19(28)9-7-17)23(18-10-20(29)12-21(30)11-18)13-27(4,26(31)34)14-24(32)33/h6-12,16,22-23,25H,5,13-15H2,1-4H3,(H,32,33)/t22-,23+,25+,27+/m0/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
MDM2 and p53


(Homo sapiens (Human))
BDBM215340
PNG
(US9296736, 308 | US9593129, Example 308)
Show SMILES CC[C@@H](CS(=O)(=O)CC1(C)COC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H35Cl2NO6S/c1-4-23(15-39(36,37)18-28(2)16-38-17-28)32-26(19-8-10-21(30)11-9-19)24(20-6-5-7-22(31)12-20)13-29(3,27(32)35)14-25(33)34/h5-12,23-24,26H,4,13-18H2,1-3H3,(H,33,34)/t23-,24+,26+,29+/m0/s1
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Amgen INC.

US Patent


Assay Description
The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...


US Patent US9296736 (2016)


BindingDB Entry DOI: 10.7270/Q29022M2
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM215410
PNG
(US9296736, 398 | US9593129, Example 398)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H34Cl2FNO5S/c1-6-22(16-38(36,37)27(2,3)4)32-25(17-7-9-19(29)10-8-17)23(18-11-20(30)13-21(31)12-18)14-28(5,26(32)35)15-24(33)34/h7-13,22-23,25H,6,14-16H2,1-5H3,(H,33,34)/t22-,23+,25+,28+/m0/s1
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Amgen, Inc.

US Patent




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM215412
PNG
(US9296736, 399 | US9593129, Example 399)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H32Cl2FNO5S/c1-5-22(15-37(35,36)16(2)3)31-25(17-6-8-19(28)9-7-17)23(18-10-20(29)12-21(30)11-18)13-27(4,26(31)34)14-24(32)33/h6-12,16,22-23,25H,5,13-15H2,1-4H3,(H,32,33)/t22-,23+,25+,27+/m0/s1
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Amgen, Inc.

US Patent




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM215366
PNG
(US9296736, 334 | US9593129, Example 334)
Show SMILES CC[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C2CCCCC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C32H39Cl2NO5S/c1-2-32(19-29(36)37)18-27(23-7-6-8-25(34)17-23)30(22-13-15-24(33)16-14-22)35(31(32)38)28(21-11-12-21)20-41(39,40)26-9-4-3-5-10-26/h6-8,13-17,21,26-28,30H,2-5,9-12,18-20H2,1H3,(H,36,37)/t27-,28-,30-,32-/m1/s1
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Amgen, Inc.

US Patent




US Patent US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
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