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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'donovan' and Initial = 'ka'   
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50453141
PNG
(CHEMBL4217325)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCOCCOCCNC(=O)CNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1
Show InChI InChI=1S/C45H53ClN10O10S/c1-28(2)67(62,63)37-10-5-4-8-33(37)50-41-31(46)26-49-45(53-41)51-32-12-11-29(25-36(32)64-3)55-18-16-54(17-19-55)20-22-66-24-23-65-21-15-47-39(58)27-48-34-9-6-7-30-40(34)44(61)56(43(30)60)35-13-14-38(57)52-42(35)59/h4-12,25-26,28,35,48H,13-24,27H2,1-3H3,(H,47,58)(H,52,57,59)(H2,49,50,51,53)
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n/an/a 10n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Induction of ALK degradation in human NCI-H3122 cells after 16 hrs by immunoblot method

J Med Chem 61: 4249-4255 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01655
BindingDB Entry DOI: 10.7270/Q2XS5XZJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50453140
PNG
(CHEMBL4213986)
Show SMILES CC(C)Oc1cc(C2CCN(CCOCCOCCNC(=O)CNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C49H60ClN9O10S/c1-29(2)69-40-26-34(31(5)25-38(40)55-49-53-27-35(50)45(57-49)54-36-10-6-7-12-41(36)70(65,66)30(3)4)32-15-18-58(19-16-32)20-22-68-24-23-67-21-17-51-43(61)28-52-37-11-8-9-33-44(37)48(64)59(47(33)63)39-13-14-42(60)56-46(39)62/h6-12,25-27,29-30,32,39,52H,13-24,28H2,1-5H3,(H,51,61)(H,56,60,62)(H2,53,54,55,57)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Induction of ALK degradation in human NCI-H3122 cells after 16 hrs by immunoblot method

J Med Chem 61: 4249-4255 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01655
BindingDB Entry DOI: 10.7270/Q2XS5XZJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50609598
PNG
(CHEMBL5274607)
Show SMILES CC(C)NC(=O)N1CC[C@H](C1)NC1=Nc2cc(F)ccc2N(CC(F)F)c2ccc(Cl)cc12 |r,t:13|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50148605
PNG
(CHEMBL3769729)
Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)OC |r,t:2|
Show InChI InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1
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n/an/a 39n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-conjugated JQ1 from wildtype BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 min...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00958
BindingDB Entry DOI: 10.7270/Q23N278B
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50453140
PNG
(CHEMBL4213986)
Show SMILES CC(C)Oc1cc(C2CCN(CCOCCOCCNC(=O)CNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C49H60ClN9O10S/c1-29(2)69-40-26-34(31(5)25-38(40)55-49-53-27-35(50)45(57-49)54-36-10-6-7-12-41(36)70(65,66)30(3)4)32-15-18-58(19-16-32)20-22-68-24-23-67-21-17-51-43(61)28-52-37-11-8-9-33-44(37)48(64)59(47(33)63)39-13-14-42(60)56-46(39)62/h6-12,25-27,29-30,32,39,52H,13-24,28H2,1-5H3,(H,51,61)(H,56,60,62)(H2,53,54,55,57)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Induction of ALK degradation in human KARPAS299 cells after 16 hrs by immunoblot method

J Med Chem 61: 4249-4255 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01655
BindingDB Entry DOI: 10.7270/Q2XS5XZJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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TBA

Assay Description
Displacement of FITC-conjugated JQ1 from wildtype BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 min...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00958
BindingDB Entry DOI: 10.7270/Q23N278B
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50453141
PNG
(CHEMBL4217325)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCOCCOCCNC(=O)CNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1
Show InChI InChI=1S/C45H53ClN10O10S/c1-28(2)67(62,63)37-10-5-4-8-33(37)50-41-31(46)26-49-45(53-41)51-32-12-11-29(25-36(32)64-3)55-18-16-54(17-19-55)20-22-66-24-23-65-21-15-47-39(58)27-48-34-9-6-7-30-40(34)44(61)56(43(30)60)35-13-14-38(57)52-42(35)59/h4-12,25-26,28,35,48H,13-24,27H2,1-3H3,(H,47,58)(H,52,57,59)(H2,49,50,51,53)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Induction of ALK degradation in human Kelly cells after 16 hrs by immunoblot method

J Med Chem 61: 4249-4255 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01655
BindingDB Entry DOI: 10.7270/Q2XS5XZJ
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50453140
PNG
(CHEMBL4213986)
Show SMILES CC(C)Oc1cc(C2CCN(CCOCCOCCNC(=O)CNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C49H60ClN9O10S/c1-29(2)69-40-26-34(31(5)25-38(40)55-49-53-27-35(50)45(57-49)54-36-10-6-7-12-41(36)70(65,66)30(3)4)32-15-18-58(19-16-32)20-22-68-24-23-67-21-17-51-43(61)28-52-37-11-8-9-33-44(37)48(64)59(47(33)63)39-13-14-42(60)56-46(39)62/h6-12,25-27,29-30,32,39,52H,13-24,28H2,1-5H3,(H,51,61)(H,56,60,62)(H2,53,54,55,57)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Induction of ALK degradation in human Kelly cells after 16 hrs by immunoblot method

J Med Chem 61: 4249-4255 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01655
BindingDB Entry DOI: 10.7270/Q2XS5XZJ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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n/an/a 123n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-conjugated JQ1 from BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by comp...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00958
BindingDB Entry DOI: 10.7270/Q23N278B
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50453141
PNG
(CHEMBL4217325)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCOCCOCCNC(=O)CNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1
Show InChI InChI=1S/C45H53ClN10O10S/c1-28(2)67(62,63)37-10-5-4-8-33(37)50-41-31(46)26-49-45(53-41)51-32-12-11-29(25-36(32)64-3)55-18-16-54(17-19-55)20-22-66-24-23-65-21-15-47-39(58)27-48-34-9-6-7-30-40(34)44(61)56(43(30)60)35-13-14-38(57)52-42(35)59/h4-12,25-26,28,35,48H,13-24,27H2,1-3H3,(H,47,58)(H,52,57,59)(H2,49,50,51,53)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Induction of ALK degradation in human KARPAS299 cells after 16 hrs by immunoblot method

J Med Chem 61: 4249-4255 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01655
BindingDB Entry DOI: 10.7270/Q2XS5XZJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 1


(Homo sapiens (Human))		BDBM50609599
PNG
(CHEMBL5281068)
Show SMILES CN1C(=O)CCC(N2C(=O)c3cccc(NCCCCCCCCNC(=O)N4CC[C@@H](C4)NC4=Nc5cc(F)ccc5N(CC(F)F)c5ccc(Cl)cc45)c3C2=O)C1=O |r,t:34|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50580092
PNG
(CHEMBL5077273)
Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCCCCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2|
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TBA

Assay Description
Displacement of FITC-conjugated JQ1 from wildtype BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 min...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00958
BindingDB Entry DOI: 10.7270/Q23N278B
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50580091
PNG
(CHEMBL5071672)
Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2|
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TBA

Assay Description
Displacement of FITC-conjugated JQ1 from wildtype BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 min...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00958
BindingDB Entry DOI: 10.7270/Q23N278B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 2


(Homo sapiens (Human))		BDBM50609598
PNG
(CHEMBL5274607)
Show SMILES CC(C)NC(=O)N1CC[C@H](C1)NC1=Nc2cc(F)ccc2N(CC(F)F)c2ccc(Cl)cc12 |r,t:13|
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n/an/a 824n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50148605
PNG
(CHEMBL3769729)
Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)OC |r,t:2|
Show InChI InChI=1S/C22H21ClN4O3/c1-12(22(28)30-4)19-21-26-25-13(2)27(21)18-10-9-16(29-3)11-17(18)20(24-19)14-5-7-15(23)8-6-14/h5-12,19H,1-4H3/t12-,19+/m1/s1
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n/an/a 863n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-conjugated JQ1 from BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by comp...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00958
BindingDB Entry DOI: 10.7270/Q23N278B
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50580090
PNG
(CHEMBL5087849)
Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2|
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n/an/a 1.26E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-conjugated JQ1 from wildtype BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 min...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00958
BindingDB Entry DOI: 10.7270/Q23N278B
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens (Human))		BDBM50570884
PNG
(CHEMBL4860669)
Show SMILES C\C(=N/Nc1nc(cs1)-c1ccc(cc1)-c1ccccc1)C(=O)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Cereblon in human Flp293T cells transfected with BRD4(BD2)-GFP fusion protein and mCherry reporter assessed as inhibition of dBET...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113435
BindingDB Entry DOI: 10.7270/Q2QV3R91
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50580091
PNG
(CHEMBL5071672)
Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2|
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n/an/a 1.99E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-conjugated JQ1 from BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by comp...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00958
BindingDB Entry DOI: 10.7270/Q23N278B
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50580094
PNG
(CHEMBL5082294)
Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCOCCOCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2|
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n/an/a 2.08E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-conjugated JQ1 from wildtype BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 min...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00958
BindingDB Entry DOI: 10.7270/Q23N278B
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50580092
PNG
(CHEMBL5077273)
Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCCCCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2|
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n/an/a 2.24E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-conjugated JQ1 from BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by comp...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00958
BindingDB Entry DOI: 10.7270/Q23N278B
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50580089
PNG
(CHEMBL5077481)
Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCC |r,t:2|
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PubMed
n/an/a 2.87E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-conjugated JQ1 from wildtype BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 min...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00958
BindingDB Entry DOI: 10.7270/Q23N278B
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50580094
PNG
(CHEMBL5082294)
Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCOCCOCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2|
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n/an/a 3.04E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-conjugated JQ1 from BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by comp...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00958
BindingDB Entry DOI: 10.7270/Q23N278B
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50580093
PNG
(CHEMBL5088121)
Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCOCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2|
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n/an/a 3.13E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-conjugated JQ1 from wildtype BRD4 BD1 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 min...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00958
BindingDB Entry DOI: 10.7270/Q23N278B
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50580090
PNG
(CHEMBL5087849)
Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2|
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PC sid
UniChem
Article
PubMed
n/an/a 3.51E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-conjugated JQ1 from BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by comp...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00958
BindingDB Entry DOI: 10.7270/Q23N278B
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50580089
PNG
(CHEMBL5077481)
Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCC |r,t:2|
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n/an/a 4.65E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-conjugated JQ1 from BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by comp...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00958
BindingDB Entry DOI: 10.7270/Q23N278B
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50580093
PNG
(CHEMBL5088121)
Show SMILES [H][C@]1(N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12)[C@@H](C)C(=O)NCCOCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |r,t:2|
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n/an/a 6.97E+3n/an/an/an/an/an/a


TBA

Assay Description
Displacement of FITC-conjugated JQ1 from BRD4 BD2 (unknown origin) expressed in Escherichia coli BL21-DE3 rosetta cells incubated for 15 mins by comp...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00958
BindingDB Entry DOI: 10.7270/Q23N278B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 2


(Homo sapiens (Human))		BDBM50609599
PNG
(CHEMBL5281068)
Show SMILES CN1C(=O)CCC(N2C(=O)c3cccc(NCCCCCCCCNC(=O)N4CC[C@@H](C4)NC4=Nc5cc(F)ccc5N(CC(F)F)c5ccc(Cl)cc45)c3C2=O)C1=O |r,t:34|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens (Human))		BDBM50570885
PNG
(CHEMBL4855690)
Show SMILES [O-][N+](=O)c1ccccc1\C(=N\Nc1nc(cs1)-c1ccc(cc1)-c1ccccc1)C(=O)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
PDB

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UniChem
Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Cereblon in human Flp293T cells transfected with BRD4(BD2)-GFP fusion protein and mCherry reporter assessed as inhibition of dBET...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113435
BindingDB Entry DOI: 10.7270/Q2QV3R91
More data for this
Ligand-Target Pair
Protein cereblon


(Homo sapiens (Human))		BDBM50570886
PNG
(CHEMBL4869528)
Show SMILES C\C(=N/Nc1nc(c(CC(=O)NCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)s1)-c1ccc(Cl)c(Cl)c1)C(=O)OCOC(=O)C(C)(C)C
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UniChem
Article
PubMed
n/an/a 2.07E+4n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Cereblon in human Flp293T cells transfected with BRD4(BD2)-GFP fusion protein and mCherry reporter assessed as inhibition of dBET...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113435
BindingDB Entry DOI: 10.7270/Q2QV3R91
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))		BDBM50570883
PNG
(CHEMBL4848695)
Show SMILES OC(=O)C(Cc1ccccc1[N+]([O-])=O)=NNc1nc(cs1)-c1ccc(Cl)c(Cl)c1
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n/an/a 5.68E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of KKQYDREFLLDFQFK-FITCH from recombinant GST-tagged human eIF4E expressed in Escherichia coli BL21 (DE3) cells by fluorescence polariza...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113435
BindingDB Entry DOI: 10.7270/Q2QV3R91
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))		BDBM50570882
PNG
(CHEMBL3310358)
Show SMILES OC(=O)C(\Cc1ccccc1[N+]([O-])=O)=N/Nc1nc(cs1)-c1ccc(cc1)-c1ccccc1
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n/an/a 6.75E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of KKQYDREFLLDFQFK-FITCH from recombinant GST-tagged human eIF4E expressed in Escherichia coli BL21 (DE3) cells by fluorescence polariza...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113435
BindingDB Entry DOI: 10.7270/Q2QV3R91
More data for this
Ligand-Target Pair