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Compile Data Set for Download or QSAR

Found 1772 hits with Last Name = 'rew' and Initial = 'y'   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50117263
PNG
((3R,6S,12S)-12-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H31N5O7S/c27-18(10-16-6-8-17(32)9-7-16)23(34)30-20-13-39-14-21(26(37)38)31-25(36)19(11-15-4-2-1-3-5-15)29-22(33)12-28-24(20)35/h1-9,18-21,32H,10-14,27H2,(H,28,35)(H,29,33)(H,30,34)(H,31,36)(H,37,38)/t18-,19-,20+,21-/m0/s1
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0.630n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is in between (0.62-0.65)


J Med Chem 45: 3746-54 (2002)


Article DOI: 10.1021/jm020108k
BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50117262
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES CC1(C)SC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(15-41-28)27(39)40/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21-,23-/m0/s1
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0.790n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is between (0.66-0.95)


J Med Chem 45: 3746-54 (2002)


Article DOI: 10.1021/jm020108k
BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50117264
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES CC1(C)SC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(15-41-28)27(39)40/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21+,23-/m0/s1
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0.930n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is between (0.35-2.5)


J Med Chem 45: 3746-54 (2002)


Article DOI: 10.1021/jm020108k
BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50117261
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H31N5O7S/c27-18(10-16-6-8-17(32)9-7-16)23(34)30-20-13-39-14-21(26(37)38)31-25(36)19(11-15-4-2-1-3-5-15)29-22(33)12-28-24(20)35/h1-9,18-21,32H,10-14,27H2,(H,28,35)(H,29,33)(H,30,34)(H,31,36)(H,37,38)/t18-,19-,20+,21+/m0/s1
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2n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane;Range is in between (1.8-2.2)


J Med Chem 45: 3746-54 (2002)


Article DOI: 10.1021/jm020108k
BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50117261
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H31N5O7S/c27-18(10-16-6-8-17(32)9-7-16)23(34)30-20-13-39-14-21(26(37)38)31-25(36)19(11-15-4-2-1-3-5-15)29-22(33)12-28-24(20)35/h1-9,18-21,32H,10-14,27H2,(H,28,35)(H,29,33)(H,30,34)(H,31,36)(H,37,38)/t18-,19-,20+,21+/m0/s1
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2n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is between (1.7-2.3)


J Med Chem 45: 3746-54 (2002)


Article DOI: 10.1021/jm020108k
BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is between (1-3.9)


J Med Chem 45: 3746-54 (2002)


Article DOI: 10.1021/jm020108k
BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50117263
PNG
((3R,6S,12S)-12-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H31N5O7S/c27-18(10-16-6-8-17(32)9-7-16)23(34)30-20-13-39-14-21(26(37)38)31-25(36)19(11-15-4-2-1-3-5-15)29-22(33)12-28-24(20)35/h1-9,18-21,32H,10-14,27H2,(H,28,35)(H,29,33)(H,30,34)(H,31,36)(H,37,38)/t18-,19-,20+,21-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane;Range is in between (1.3-3.7)


J Med Chem 45: 3746-54 (2002)


Article DOI: 10.1021/jm020108k
BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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17n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane;Range is in between (6.8-43)


J Med Chem 45: 3746-54 (2002)


Article DOI: 10.1021/jm020108k
BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50117262
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES CC1(C)SC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(15-41-28)27(39)40/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21-,23-/m0/s1
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130n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane;Range is in between (110-150)


J Med Chem 45: 3746-54 (2002)


Article DOI: 10.1021/jm020108k
BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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150n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor delta 1 expressed in CHO cell membrane;Range is between (63-360)


J Med Chem 45: 3746-54 (2002)


Article DOI: 10.1021/jm020108k
BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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260n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor kappa 1 expressed in CHO cell membrane;Range is in between (1400-1900)


J Med Chem 45: 3746-54 (2002)


Article DOI: 10.1021/jm020108k
BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50117264
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES CC1(C)SC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(15-41-28)27(39)40/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21+,23-/m0/s1
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630n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane;Range is in between (580-680)


J Med Chem 45: 3746-54 (2002)


Article DOI: 10.1021/jm020108k
BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50117262
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES CC1(C)SC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(15-41-28)27(39)40/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21-,23-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor kappa 1 expressed in CHO cell membrane;Range is in between (1400-1900)


J Med Chem 45: 3746-54 (2002)


Article DOI: 10.1021/jm020108k
BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50117261
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H31N5O7S/c27-18(10-16-6-8-17(32)9-7-16)23(34)30-20-13-39-14-21(26(37)38)31-25(36)19(11-15-4-2-1-3-5-15)29-22(33)12-28-24(20)35/h1-9,18-21,32H,10-14,27H2,(H,28,35)(H,29,33)(H,30,34)(H,31,36)(H,37,38)/t18-,19-,20+,21+/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor kappa 1 expressed in CHO cell membrane;Range is in between (1400-1900)


J Med Chem 45: 3746-54 (2002)


Article DOI: 10.1021/jm020108k
BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50117263
PNG
((3R,6S,12S)-12-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
Show InChI InChI=1S/C26H31N5O7S/c27-18(10-16-6-8-17(32)9-7-16)23(34)30-20-13-39-14-21(26(37)38)31-25(36)19(11-15-4-2-1-3-5-15)29-22(33)12-28-24(20)35/h1-9,18-21,32H,10-14,27H2,(H,28,35)(H,29,33)(H,30,34)(H,31,36)(H,37,38)/t18-,19-,20+,21-/m0/s1
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6.40E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-diprenorphine to cloned human Opioid receptor kappa 1 expressed in CHO cell membrane; range is in between (4700-8500)


J Med Chem 45: 3746-54 (2002)


Article DOI: 10.1021/jm020108k
BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor kappa 1 expressed in CHO cell membrane


J Med Chem 45: 3746-54 (2002)


Article DOI: 10.1021/jm020108k
BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor mu 1 expressed in CHO cell membrane


J Med Chem 45: 3746-54 (2002)


Article DOI: 10.1021/jm020108k
BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50117264
PNG
(12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6...)
Show SMILES CC1(C)SC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H35N5O7S/c1-28(2)23(33-24(36)19(29)12-17-8-10-18(34)11-9-17)26(38)30-14-22(35)31-20(13-16-6-4-3-5-7-16)25(37)32-21(15-41-28)27(39)40/h3-11,19-21,23,34H,12-15,29H2,1-2H3,(H,30,38)(H,31,35)(H,32,37)(H,33,36)(H,39,40)/t19-,20-,21+,23-/m0/s1
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University of California

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]diprenorphine to cloned human Opioid receptor kappa 1 expressed in CHO cell membrane;Range is in between (1400-1900)


J Med Chem 45: 3746-54 (2002)


Article DOI: 10.1021/jm020108k
BindingDB Entry DOI: 10.7270/Q2RN376Q
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM144637
PNG
(US8952036, Ex. 5)
Show SMILES COc1cc(NC(=O)C[C@@]2(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)c2ccc(Cl)cc2)c2cccc(Cl)c2)ccc1C(O)=O
Show InChI InChI=1S/C37H42Cl2N2O7S/c1-36(2,3)49(46,47)21-30(22-9-10-22)41-33(23-11-13-25(38)14-12-23)29(24-7-6-8-26(39)17-24)19-37(4,35(41)45)20-32(42)40-27-15-16-28(34(43)44)31(18-27)48-5/h6-8,11-18,22,29-30,33H,9-10,19-21H2,1-5H3,(H,40,42)(H,43,44)/t29-,30-,33-,37-/m1/s1
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n/an/a 0.0503n/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 US8952036 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X4P
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(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
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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n/an/a 0.0962n/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 US8952036 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X4P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448966
PNG
(CHEMBL3125534)
Show SMILES C[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
Show InChI InChI=1S/C27H33Cl2NO5S/c1-17(16-36(34,35)26(2,3)4)30-24(18-9-11-20(28)12-10-18)22(19-7-6-8-21(29)13-19)14-27(5,25(30)33)15-23(31)32/h6-13,17,22,24H,14-16H2,1-5H3,(H,31,32)/t17-,22+,24+,27+/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448967
PNG
(CHEMBL3125533)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](CC(F)(F)F)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H32Cl2F3NO5S/c1-26(2,3)40(38,39)16-21(13-28(31,32)33)34-24(17-8-10-19(29)11-9-17)22(18-6-5-7-20(30)12-18)14-27(4,25(34)37)15-23(35)36/h5-12,21-22,24H,13-16H2,1-4H3,(H,35,36)/t21-,22+,24+,27+/m0/s1
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Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
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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n/an/a 0.100n/an/an/an/an/an/a



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 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


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 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
Show InChI InChI=1S/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-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



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 US9593129 (2017)


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


(Homo sapiens (Human))
BDBM50448942
PNG
(CHEMBL3125520 | US9296736, 382 | US9593129, Exampl...)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)N2CCC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C28H32Cl2N2O5S/c1-28(16-25(33)34)15-23(20-4-2-5-22(30)14-20)26(19-8-10-21(29)11-9-19)32(27(28)35)24(18-6-7-18)17-38(36,37)31-12-3-13-31/h2,4-5,8-11,14,18,23-24,26H,3,6-7,12-13,15-17H2,1H3,(H,33,34)/t23-,24-,26-,28-/m1/s1
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Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
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
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

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(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
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

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448958
PNG
(CHEMBL3125698)
Show SMILES CC(C)S(=O)(=O)C[C@H](C1CCC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H35Cl2NO5S/c1-18(2)38(36,37)17-25(19-6-4-7-19)32-27(20-10-12-22(30)13-11-20)24(21-8-5-9-23(31)14-21)15-29(3,28(32)35)16-26(33)34/h5,8-14,18-19,24-25,27H,4,6-7,15-17H2,1-3H3,(H,33,34)/t24-,25-,27-,29-/m1/s1
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Amgen Inc

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(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
Show InChI InChI=1S/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-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



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 US9593129 (2017)


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


(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
Show InChI InChI=1S/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+/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 US9593129 (2017)


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


(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
Show InChI InChI=1S/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-/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 US9593129 (2017)


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


(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
Show InChI InChI=1S/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-/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 US9593129 (2017)


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


(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
Show InChI InChI=1S/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-/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 US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
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
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 US9593129 (2017)


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


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 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


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 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


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 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


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 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


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 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


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 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


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 US9593129 (2017)


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


(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
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 US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(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 US9593129 (2017)


BindingDB Entry DOI: 10.7270/Q20P1232
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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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
Show InChI InChI=1S/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-/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
Show InChI InChI=1S/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-/m1/s1
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
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
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