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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'mendy' and Initial = 'd'   
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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50545275
PNG
(CHEMBL4645677)
Show SMILES Fc1ccc(N2CCN(Cc3ccc(COc4cccc5C(=O)N(Cc45)C4CCC(=O)NC4=O)cc3)CC2)c(F)c1
Show InChI InChI=1S/C31H30F2N4O4/c32-22-8-9-26(25(33)16-22)36-14-12-35(13-15-36)17-20-4-6-21(7-5-20)19-41-28-3-1-2-23-24(28)18-37(31(23)40)27-10-11-29(38)34-30(27)39/h1-9,16,27H,10-15,17-19H2,(H,34,38,39)
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n/an/a 14n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of adrenergic receptor alpha1 (unknown origin)


J Med Chem 63: 6648-6676 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01928
BindingDB Entry DOI: 10.7270/Q2KS6W4N
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50545276
PNG
(CHEMBL4637801)
Show SMILES Fc1cc(ccc1N1CCN(Cc2ccc(COc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)cc2)CC1)C#N
Show InChI InChI=1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40)
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n/an/a 980n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of adrenergic receptor alpha1 (unknown origin)


J Med Chem 63: 6648-6676 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01928
BindingDB Entry DOI: 10.7270/Q2KS6W4N
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens (Human))
BDBM65454
PNG
(191732-72-6 | CC-5013 | Lenalidomide | Revimid | R...)
Show SMILES Nc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O
Show InChI InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Celgene



Assay Description
To measure compound binding to endogenous CRBN.


Leukemia 26: 2326-35 (2012)


Article DOI: 10.1038/leu.2012.119
BindingDB Entry DOI: 10.7270/Q26971RH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein cereblon


(Homo sapiens (Human))
BDBM65456
PNG
(19171-19-8 | 4-amino-2-(2,6-dioxopiperidin-3-yl)is...)
Show SMILES Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
Show InChI InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Celgene



Assay Description
To measure compound binding to endogenous CRBN.


Leukemia 26: 2326-35 (2012)


Article DOI: 10.1038/leu.2012.119
BindingDB Entry DOI: 10.7270/Q26971RH
More data for this
Ligand-Target Pair
DNA damage-binding protein 1/Protein cereblon


(Homo sapiens (Human))
BDBM65454
PNG
(191732-72-6 | CC-5013 | Lenalidomide | Revimid | R...)
Show SMILES Nc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O
Show InChI InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)
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n/an/a 3.00E+3n/an/an/an/a8.070



Celgene



Assay Description
Thermal stabilities of CRBN-DDB1 in the presence or absence of phthalimide, thalidomide, lenalidomide and pomalidomide were done in the presence of S...


Leukemia 26: 2326-35 (2012)


Article DOI: 10.1038/leu.2012.119
BindingDB Entry DOI: 10.7270/Q26971RH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA damage-binding protein 1/Protein cereblon


(Homo sapiens (Human))
BDBM65456
PNG
(19171-19-8 | 4-amino-2-(2,6-dioxopiperidin-3-yl)is...)
Show SMILES Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
Show InChI InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)
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n/an/a 3.00E+3n/an/an/an/a8.070



Celgene



Assay Description
Thermal stabilities of CRBN-DDB1 in the presence or absence of phthalimide, thalidomide, lenalidomide and pomalidomide were done in the presence of S...


Leukemia 26: 2326-35 (2012)


Article DOI: 10.1038/leu.2012.119
BindingDB Entry DOI: 10.7270/Q26971RH
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens (Human))
BDBM65457
PNG
((-)-Thalidomide | (S)-Thalidomide)
Show SMILES O=C1N([C@H]2CCC(=O)NC2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Celgene



Assay Description
To measure compound binding to endogenous CRBN.


Leukemia 26: 2326-35 (2012)


Article DOI: 10.1038/leu.2012.119
BindingDB Entry DOI: 10.7270/Q26971RH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA damage-binding protein 1


(Homo sapiens (Human))
BDBM50070114
PNG
((+/-)-thalidomide | 2-(2,6-Dioxo-piperidin-3-yl)-i...)
Show SMILES O=C1N(C2CCC(=O)NC2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)
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n/an/a 3.00E+4n/an/an/an/a8.070



Celgene



Assay Description
Thermal stabilities of CRBN-DDB1 in the presence or absence of phthalimide, thalidomide, lenalidomide and pomalidomide were done in the presence of S...


Leukemia 26: 2326-35 (2012)


Article DOI: 10.1038/leu.2012.119
BindingDB Entry DOI: 10.7270/Q26971RH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein cereblon


(Homo sapiens (Human))
BDBM65362
PNG
((+)-Thalidomide | (R)-(+)-thalidomide | (R)-Thalid...)
Show SMILES O=C1N([C@@H]2CCC(=O)NC2=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Celgene



Assay Description
To measure compound binding to endogenous CRBN.


Leukemia 26: 2326-35 (2012)


Article DOI: 10.1038/leu.2012.119
BindingDB Entry DOI: 10.7270/Q26971RH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50545276
PNG
(CHEMBL4637801)
Show SMILES Fc1cc(ccc1N1CCN(Cc2ccc(COc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)cc2)CC1)C#N
Show InChI InChI=1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Agonist activity at D2S (unknown origin)


J Med Chem 63: 6648-6676 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01928
BindingDB Entry DOI: 10.7270/Q2KS6W4N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50545275
PNG
(CHEMBL4645677)
Show SMILES Fc1ccc(N2CCN(Cc3ccc(COc4cccc5C(=O)N(Cc45)C4CCC(=O)NC4=O)cc3)CC2)c(F)c1
Show InChI InChI=1S/C31H30F2N4O4/c32-22-8-9-26(25(33)16-22)36-14-12-35(13-15-36)17-20-4-6-21(7-5-20)19-41-28-3-1-2-23-24(28)18-37(31(23)40)27-10-11-29(38)34-30(27)39/h1-9,16,27H,10-15,17-19H2,(H,34,38,39)
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Celgene Corporation

Curated by ChEMBL


Assay Description
Agonist activity at D2S (unknown origin)


J Med Chem 63: 6648-6676 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01928
BindingDB Entry DOI: 10.7270/Q2KS6W4N
More data for this
Ligand-Target Pair