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Compile Data Set for Download or QSAR

Found 4882 hits with Last Name = 'thompson' and Initial = 'f'   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM263892
PNG
(5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]...)
Show SMILES Oc1ccc2c(CCCC(c3ccc(cc3)N3CCCC3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1
Show InChI InChI=1S/C34H39FN2O2/c35-18-4-19-36-22-17-31(24-36)39-30-14-9-26(10-15-30)34-32(6-3-5-27-23-29(38)13-16-33(27)34)25-7-11-28(12-8-25)37-20-1-2-21-37/h7-16,23,31,38H,1-6,17-22,24H2/t31-/m0/s1
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n/an/a 0n/an/an/an/a7.425



SANOFI

US Patent


Assay Description
It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...


US Patent US9714221 (2017)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50267545
PNG
((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C25H24F6N2O3S/c26-24(27,28)18-5-3-16(4-6-18)21-14-22(21)23(34)32-7-9-33(10-8-32)37(35,36)20-12-17(15-1-2-15)11-19(13-20)25(29,30)31/h3-6,11-13,15,21-22H,1-2,7-10,14H2/t21-,22+/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
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
Show InChI InChI=1S/C28H25ClF3N7O2/c1-14-6-8-15(9-7-14)13-39-22-21(16-10-17(29)12-33-11-16)34-24(25-37-27(40)41-38-25)35-23(22)36-26(39)28(2,32)20-18(30)4-3-5-19(20)31/h3-5,10-12,14-15H,6-9,13H2,1-2H3,(H,37,38,40)/t14-,15-,28?
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n/an/a 0.156n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C27H26ClF2N5O2/c1-15-7-9-16(10-8-15)14-35-22-21(17-11-18(28)13-31-12-17)32-24(25(36)37)33-23(22)34-26(35)27(2,30)19-5-3-4-6-20(19)29/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,36,37)/t15-,16-,27?
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n/an/a 0.176n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50267545
PNG
((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C25H24F6N2O3S/c26-24(27,28)18-5-3-16(4-6-18)21-14-22(21)23(34)32-7-9-33(10-8-32)37(35,36)20-12-17(15-1-2-15)11-19(13-20)25(29,30)31/h3-6,11-13,15,21-22H,1-2,7-10,14H2/t21-,22+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H] SR141716 from rat recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50267907
PNG
((4-(3-(4H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1nnc[nH]1
Show InChI InChI=1S/C24H21F6N5O3S/c25-23(26,27)16-3-1-14(2-4-16)19-12-20(19)22(36)34-5-7-35(8-6-34)39(37,38)18-10-15(21-31-13-32-33-21)9-17(11-18)24(28,29)30/h1-4,9-11,13,19-20H,5-8,12H2,(H,31,32,33)/t19-,20+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
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
Show InChI InChI=1S/C30H40N6O3/c1-19-11-13-21(14-12-19)17-36-25-26(31-20(2)22-9-6-10-22)32-28(29(37)38)33-27(25)34-30(36)35-15-16-39-18-24(35)23-7-4-3-5-8-23/h3-5,7-8,19-22,24H,6,9-18H2,1-2H3,(H,37,38)(H,31,32,33)/t19-,20-,21-,24+/m1/s1
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n/an/a 0.202n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C32H34ClN7O4/c1-19-7-9-20(10-8-19)16-40-27-26(23-13-21(17-41)14-24(33)15-23)34-29(30-37-32(42)44-38-30)35-28(27)36-31(40)39-11-12-43-18-25(39)22-5-3-2-4-6-22/h2-6,13-15,19-20,25,41H,7-12,16-18H2,1H3,(H,37,38,42)/t19-,20-,25-/m0/s1
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n/an/a 0.205n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C33H43N9O3/c1-20-12-14-23(15-13-20)18-42-27-28(34-21(2)24-10-7-11-24)35-30(31-38-33(44)45-39-31)36-29(27)37-32(42)41-17-16-40(22(3)43)19-26(41)25-8-5-4-6-9-25/h4-6,8-9,20-21,23-24,26H,7,10-19H2,1-3H3,(H,34,35,36)(H,38,39,44)/t20-,21-,23-,26+/m1/s1
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n/an/a 0.215n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C28H25ClF3N7O2/c1-14-6-8-15(9-7-14)13-39-22-21(16-10-17(29)12-33-11-16)34-24(25-37-38-27(40)41-25)35-23(22)36-26(39)28(2,32)20-18(30)4-3-5-19(20)31/h3-5,10-12,14-15H,6-9,13H2,1-2H3,(H,38,40)/t14-,15-,28?
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n/an/a 0.289n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50267775
PNG
((4-(3-(1H-pyrazol-5-yl)-5-(trifluoromethyl)phenyls...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1cc[nH]n1
Show InChI InChI=1S/C25H22F6N4O3S/c26-24(27,28)17-3-1-15(2-4-17)20-14-21(20)23(36)34-7-9-35(10-8-34)39(37,38)19-12-16(22-5-6-32-33-22)11-18(13-19)25(29,30)31/h1-6,11-13,20-21H,7-10,14H2,(H,32,33)/t20-,21+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50267585
PNG
((4-(3-isopropoxy-5-(trifluoromethyl)phenylsulfonyl...)
Show SMILES CC(C)Oc1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H26F6N2O4S/c1-15(2)37-19-11-18(25(29,30)31)12-20(13-19)38(35,36)33-9-7-32(8-10-33)23(34)22-14-21(22)16-3-5-17(6-4-16)24(26,27)28/h3-6,11-13,15,21-22H,7-10,14H2,1-2H3/t21-,22+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50267730
PNG
((4-(3-(1,2,4-oxadiazol-3-yl)-5-(trifluoromethyl)ph...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1ncon1
Show InChI InChI=1S/C24H20F6N4O4S/c25-23(26,27)16-3-1-14(2-4-16)19-12-20(19)22(35)33-5-7-34(8-6-33)39(36,37)18-10-15(21-31-13-38-32-21)9-17(11-18)24(28,29)30/h1-4,9-11,13,19-20H,5-8,12H2/t19-,20+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
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
Show InChI InChI=1S/C27H25ClF2N8O2/c1-14-5-7-15(8-6-14)13-38-20-19(16-10-17(28)12-31-11-16)33-23(24-36-26(39)40-37-24)34-22(20)35-25(38)27(2,30)21-18(29)4-3-9-32-21/h3-4,9-12,14-15H,5-8,13H2,1-2H3,(H,36,37,39)/t14-,15-,27?
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n/an/a 0.315n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C28H40N8O3/c1-16-9-11-18(12-10-16)15-36-22-23(29-17(2)19-5-3-6-19)30-25(26-33-28(37)39-34-26)31-24(22)32-27(36)35-13-14-38-21-8-4-7-20(21)35/h16-21H,3-15H2,1-2H3,(H,29,30,31)(H,33,34,37)/t16-,17-,18-,20?,21?/m1/s1
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n/an/a 0.344n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C27H25ClF2N8O2/c1-14-5-7-15(8-6-14)13-38-20-19(16-10-17(28)12-31-11-16)33-23(24-36-37-26(39)40-24)34-22(20)35-25(38)27(2,30)21-18(29)4-3-9-32-21/h3-4,9-12,14-15H,5-8,13H2,1-2H3,(H,37,39)/t14-,15-,27?
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n/an/a 0.359n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C31H42N6O2/c1-20-14-16-22(17-15-20)19-37-26-27(32-21(2)23-11-8-12-23)33-29(30(38)39)34-28(26)35-31(37)36-18-7-6-13-25(36)24-9-4-3-5-10-24/h3-5,9-10,20-23,25H,6-8,11-19H2,1-2H3,(H,38,39)(H,32,33,34)/t20-,21-,22-,25+/m1/s1
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n/an/a 0.381n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C28H26ClF2N7O2/c1-15-7-9-16(10-8-15)14-38-22-21(17-11-18(29)13-32-12-17)33-24(25-36-27(39)40-37-25)34-23(22)35-26(38)28(2,31)19-5-3-4-6-20(19)30/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,36,37,39)/t15-,16-,28?
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n/an/a 0.424n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C30H29ClN8O3/c1-17-8-10-18(11-9-17)16-39-24-23(20-12-21(31)15-33-14-20)34-26(27-37-29(40)42-38-27)35-25(24)36-28(39)30(2,41-3)22-7-5-4-6-19(22)13-32/h4-7,12,14-15,17-18H,8-11,16H2,1-3H3,(H,37,38,40)/t17-,18-,30?
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n/an/a 0.435n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C29H28ClF2N7O3/c1-15-7-9-16(10-8-15)14-39-23-22(17-11-18(30)13-33-12-17)34-25(26-37-28(40)42-38-26)35-24(23)36-27(39)29(2,41-3)21-19(31)5-4-6-20(21)32/h4-6,11-13,15-16H,7-10,14H2,1-3H3,(H,37,38,40)/t15-,16-,29?
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n/an/a 0.452n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C28H26ClF2N7O2/c1-15-7-9-16(10-8-15)14-38-22-21(17-11-18(29)13-32-12-17)33-24(25-36-37-27(39)40-25)34-23(22)35-26(38)28(2,31)19-5-3-4-6-20(19)30/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,37,39)/t15-,16-,28?
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n/an/a 0.453n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C30H30ClFN8O3/c1-17-6-8-18(9-7-17)15-40-25-24(19-12-20(31)14-33-13-19)34-27(28-37-38-30(41)43-28)35-26(25)36-29(40)39-10-11-42-16-23(39)21-4-2-3-5-22(21)32/h2-5,12-14,17-18,23H,6-11,15-16H2,1H3,(H,38,41)/t17-,18-,23-/m0/s1
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n/an/a 0.494n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50267487
PNG
(1-(4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfo...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCN(CC2)S(=O)(=O)c2cc(cc(c2)C(F)(F)F)C2CC2)cc1
Show InChI InChI=1S/C23H22F6N2O3S/c24-22(25,26)18-5-1-15(2-6-18)11-21(32)30-7-9-31(10-8-30)35(33,34)20-13-17(16-3-4-16)12-19(14-20)23(27,28)29/h1-2,5-6,12-14,16H,3-4,7-11H2
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50267584
PNG
((4-(3-methoxy-5-(trifluoromethyl)phenylsulfonyl)pi...)
Show SMILES COc1cc(cc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1C[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F6N2O4S/c1-35-17-10-16(23(27,28)29)11-18(12-17)36(33,34)31-8-6-30(7-9-31)21(32)20-13-19(20)14-2-4-15(5-3-14)22(24,25)26/h2-5,10-12,19-20H,6-9,13H2,1H3/t19-,20+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50267545
PNG
((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C25H24F6N2O3S/c26-24(27,28)18-5-3-16(4-6-18)21-14-22(21)23(34)32-7-9-33(10-8-32)37(35,36)20-12-17(15-1-2-15)11-19(13-20)25(29,30)31/h3-6,11-13,15,21-22H,1-2,7-10,14H2/t21-,22+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
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
Show InChI InChI=1S/C31H33ClN8O3/c1-18-8-10-20(11-9-18)17-40-26-24(22-14-23(32)16-33-15-22)34-28(29-37-31(41)43-38-29)35-27(26)36-30(40)39-12-13-42-19(2)25(39)21-6-4-3-5-7-21/h3-7,14-16,18-20,25H,8-13,17H2,1-2H3,(H,37,38,41)/t18-,19-,20-,25+/m1/s1
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n/an/a 0.504n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C29H44N8O3/c1-17-11-13-19(14-12-17)16-37-22-23(30-18(2)20-8-6-9-20)31-25(26-34-28(38)40-35-26)32-24(22)33-27(37)36-15-7-10-21(36)29(3,4)39-5/h17-21H,6-16H2,1-5H3,(H,30,31,32)(H,34,35,38)/t17-,18-,19-,21?/m1/s1
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n/an/a 0.507n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C29H26ClFN8O2/c1-16-7-9-17(10-8-16)15-39-23-22(19-11-20(30)14-33-13-19)34-25(26-37-28(40)41-38-26)35-24(23)36-27(39)29(2,31)21-6-4-3-5-18(21)12-32/h3-6,11,13-14,16-17H,7-10,15H2,1-2H3,(H,37,38,40)/t16-,17-,29?
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n/an/a 0.515n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C30H31ClN8O3/c1-18-7-9-19(10-8-18)16-39-25-24(21-13-22(31)15-32-14-21)33-27(28-36-30(40)42-37-28)34-26(25)35-29(39)38-11-12-41-17-23(38)20-5-3-2-4-6-20/h2-6,13-15,18-19,23H,7-12,16-17H2,1H3,(H,36,37,40)/t18-,19-,23-/m0/s1
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n/an/a 0.517n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C27H28F3N7O2/c1-15(18-6-5-7-18)32-22-21-23(35-24(34-22)25(38)39)36-26(33-16(2)20-8-3-4-13-31-20)37(21)14-17-9-11-19(12-10-17)27(28,29)30/h3-4,8-13,15-16,18H,5-7,14H2,1-2H3,(H,38,39)(H2,32,33,34,35,36)/t15-,16?/m1/s1
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n/an/a 0.526n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C31H42N6O3/c1-3-21-12-14-22(15-13-21)18-37-26-27(32-20(2)23-10-7-11-23)33-29(30(38)39)34-28(26)35-31(37)36-16-17-40-19-25(36)24-8-5-4-6-9-24/h4-6,8-9,20-23,25H,3,7,10-19H2,1-2H3,(H,38,39)(H,32,33,34)/t20-,21-,22-,25+/m1/s1
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n/an/a 0.548n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
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
Show InChI InChI=1S/C29H35F2N7O2/c1-16-11-13-18(14-12-16)15-38-22-23(32-17(2)19-7-6-8-19)33-25(26-36-28(39)40-37-26)34-24(22)35-27(38)29(3,31)20-9-4-5-10-21(20)30/h4-5,9-10,16-19H,6-8,11-15H2,1-3H3,(H,32,33,34)(H,36,37,39)/t16-,17-,18-,29?/m1/s1
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n/an/a 0.563n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C31H39ClN8O3/c1-18-10-12-20(13-11-18)16-40-25-26(33-19(2)21-6-5-7-21)34-28(29-37-31(41)43-38-29)35-27(25)36-30(40)39-14-15-42-17-24(39)22-8-3-4-9-23(22)32/h3-4,8-9,18-21,24H,5-7,10-17H2,1-2H3,(H,33,34,35)(H,37,38,41)/t18-,19-,20-,24?/m1/s1
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n/an/a 0.568n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C31H33ClN8O3/c1-18-8-10-20(11-9-18)17-40-26-24(22-14-23(32)16-33-15-22)34-28(29-37-38-31(41)43-29)35-27(26)36-30(40)39-12-13-42-19(2)25(39)21-6-4-3-5-7-21/h3-7,14-16,18-20,25H,8-13,17H2,1-2H3,(H,38,41)/t18-,19-,20-,25+/m1/s1
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n/an/a 0.569n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C30H30ClFN8O3/c1-17-6-8-18(9-7-17)15-40-25-24(19-12-20(31)14-33-13-19)34-27(28-37-30(41)43-38-28)35-26(25)36-29(40)39-10-11-42-16-23(39)21-4-2-3-5-22(21)32/h2-5,12-14,17-18,23H,6-11,15-16H2,1H3,(H,37,38,41)/t17-,18-,23-/m0/s1
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n/an/a 0.585n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C31H43N7O4S/c1-20-12-14-22(15-13-20)18-38-26-27(32-21(2)23-10-7-11-23)33-29(30(39)36-43(3,40)41)34-28(26)35-31(38)37-16-17-42-19-25(37)24-8-5-4-6-9-24/h4-6,8-9,20-23,25H,7,10-19H2,1-3H3,(H,36,39)(H,32,33,34)/t20-,21-,22-,25+/m1/s1
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n/an/a 0.585n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C25H26ClF3N8O2/c1-13-4-6-14(7-5-13)12-37-19-18(15-9-16(26)11-30-10-15)31-21(22-34-24(38)39-35-22)32-20(19)33-23(37)36-8-2-3-17(36)25(27,28)29/h9-11,13-14,17H,2-8,12H2,1H3,(H,34,35,38)/t13-,14-,17-/m0/s1
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n/an/a 0.585n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C29H28ClF2N7O3/c1-15-7-9-16(10-8-15)14-39-23-22(17-11-18(30)13-33-12-17)34-25(26-37-38-28(40)42-26)35-24(23)36-27(39)29(2,41-3)21-19(31)5-4-6-20(21)32/h4-6,11-13,15-16H,7-10,14H2,1-3H3,(H,38,40)/t15-,16-,29?
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n/an/a 0.598n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50267688
PNG
((4-(3-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C24H21F6N5O3S/c25-23(26,27)16-3-1-15(2-4-16)20-14-21(20)22(36)33-7-9-34(10-8-33)39(37,38)19-12-17(24(28,29)30)11-18(13-19)35-31-5-6-32-35/h1-6,11-13,20-21H,7-10,14H2/t20-,21+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
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
Show InChI InChI=1S/C31H33ClN8O3/c1-18-8-10-20(11-9-18)16-40-26-25(23-14-22(32)15-33-19(23)2)34-28(29-37-31(41)43-38-29)35-27(26)36-30(40)39-12-13-42-17-24(39)21-6-4-3-5-7-21/h3-7,14-15,18,20,24H,8-13,16-17H2,1-2H3,(H,37,38,41)/t18-,20-,24-/m0/s1
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n/an/a 0.601n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C31H33ClN8O3/c1-18-8-10-20(11-9-18)19(2)40-26-25(22-14-23(32)16-33-15-22)34-28(29-37-38-31(41)43-29)35-27(26)36-30(40)39-12-13-42-17-24(39)21-6-4-3-5-7-21/h3-7,14-16,18-20,24H,8-13,17H2,1-2H3,(H,38,41)/t18-,19?,20-,24-/m0/s1
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n/an/a 0.620n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C29H28Cl2FN7O3/c1-15-7-9-16(10-8-15)14-39-23-22(17-11-18(30)13-33-12-17)34-25(26-37-38-28(40)42-26)35-24(23)36-27(39)29(2,41-3)19-5-4-6-20(31)21(19)32/h4-6,11-13,15-16H,7-10,14H2,1-3H3,(H,38,40)/t15-,16-,29?
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n/an/a 0.623n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C31H40N8O3/c1-19-11-13-21(14-12-19)17-39-25-26(32-20(2)22-9-6-10-22)33-28(29-36-31(40)42-37-29)34-27(25)35-30(39)38-15-16-41-18-24(38)23-7-4-3-5-8-23/h3-5,7-8,19-22,24H,6,9-18H2,1-2H3,(H,32,33,34)(H,36,37,40)/t19-,20-,21-,24+/m1/s1
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n/an/a 0.626n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C26H35F3N8O2/c1-14-8-10-16(11-9-14)13-37-19-20(30-15(2)17-5-3-6-17)31-22(23-34-25(38)39-35-23)32-21(19)33-24(37)36-12-4-7-18(36)26(27,28)29/h14-18H,3-13H2,1-2H3,(H,30,31,32)(H,34,35,38)/t14-,15-,16-,18+/m1/s1
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n/an/a 0.642n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C29H36ClN7O3/c1-17-10-12-18(13-11-17)16-37-23-22(19-7-5-8-20(30)15-19)31-25(26-34-28(38)40-35-26)32-24(23)33-27(37)36-14-6-9-21(36)29(2,3)39-4/h5,7-8,15,17-18,21H,6,9-14,16H2,1-4H3,(H,34,35,38)/t17-,18-,21?
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n/an/a 0.658n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C26H28ClF3N8O2/c1-13-5-7-15(8-6-13)14(2)38-20-19(16-10-17(27)12-31-11-16)32-22(23-35-25(39)40-36-23)33-21(20)34-24(38)37-9-3-4-18(37)26(28,29)30/h10-15,18H,3-9H2,1-2H3,(H,35,36,39)/t13-,14?,15-,18-/m0/s1
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n/an/a 0.670n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C28H28ClFN8O3/c1-15-6-8-16(9-7-15)14-38-21-20(17-11-18(29)13-31-12-17)33-24(25-36-37-27(39)41-25)34-23(21)35-26(38)28(2,40-3)22-19(30)5-4-10-32-22/h4-5,10-13,15-16H,6-9,14H2,1-3H3,(H,37,39)/t15-,16-,28?
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n/an/a 0.675n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


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
Show InChI InChI=1S/C30H32ClN5O3/c1-19-10-12-20(13-11-19)17-36-26-25(22-8-5-9-23(31)16-22)32-28(29(37)38)33-27(26)34-30(36)35-14-15-39-18-24(35)21-6-3-2-4-7-21/h2-9,16,19-20,24H,10-15,17-18H2,1H3,(H,37,38)/t19-,20-,24-/m0/s1
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n/an/a 0.680n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50267687
PNG
((4-(3-(1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyls...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-n1cccn1
Show InChI InChI=1S/C25H22F6N4O3S/c26-24(27,28)17-4-2-16(3-5-17)21-15-22(21)23(36)33-8-10-34(11-9-33)39(37,38)20-13-18(25(29,30)31)12-19(14-20)35-7-1-6-32-35/h1-7,12-14,21-22H,8-11,15H2/t21-,22+/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells


J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
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
Show InChI InChI=1S/C31H33ClN8O3/c1-18-8-10-20(11-9-18)16-40-26-25(23-14-22(32)15-33-19(23)2)34-28(29-37-38-31(41)43-29)35-27(26)36-30(40)39-12-13-42-17-24(39)21-6-4-3-5-7-21/h3-7,14-15,18,20,24H,8-13,16-17H2,1-2H3,(H,38,41)/t18-,20-,24-/m0/s1
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n/an/a 0.704n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...


US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair
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