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21 similar compounds to monomer 50163774

Compile data set for download or QSAR
Wt: 450.9
BDBM50163792
Wt: 706.8
BDBM50163750
Wt: 448.9
BDBM50163777
Wt: 476.9
BDBM50163778
Wt: 466.0
BDBM50163760
Wt: 491.0
BDBM50163761
Wt: 505.0
BDBM50163762
Wt: 480.0
BDBM50163767
Wt: 446.9
BDBM50163773
Wt: 451.9
BDBM50163784
Wt: 505.0
BDBM50163769
Wt: 410.9
BDBM50163790
Wt: 296.1
BDBM50163754
Wt: 405.4
BDBM50163764
Wt: 430.4
BDBM50163765
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50163792,50163750,50163777,50163778,50163760,50163761,50163762,50163767,50163773,50163784,50163769,50163790,50163754,50163764,50163765   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM50163750
PNG
(CHEMBL3797292)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](O)[C@H](Cc1ccccc1)n1cc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1
Show InChI InChI=1S/C36H46N6O7S/c1-25(2)23-42(50(46,47)31-18-16-30(48-6)17-19-31)34(44)32(20-26-10-8-7-9-11-26)41-24-29(39-40-41)22-37-33(43)28-14-12-27(13-15-28)21-38-35(45)49-36(3,4)5/h7-19,24-25,32,34,44H,20-23H2,1-6H3,(H,37,43)(H,38,45)/t32-,34-/m0/s1
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4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease after 48 hrs by micro-titer plate assay


J Med Chem 59: 2849-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00497
BindingDB Entry DOI: 10.7270/Q2JH3P3H
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50163754
PNG
(CHEMBL1614842)
Show SMILES Cn1nc(cc1N)-c1cc2OCOc2c(Br)c1
Show InChI InChI=1S/C11H10BrN3O2/c1-15-10(13)4-8(14-15)6-2-7(12)11-9(3-6)16-5-17-11/h2-4H,5,13H2,1H3
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n/an/an/a 1.70E+5n/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Binding affinity to HIV integrase


J Med Chem 59: 2849-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00497
BindingDB Entry DOI: 10.7270/Q2JH3P3H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163760
PNG
(CHEMBL3797689)
Show SMILES COCCN1CCCC11CCN(CC1)c1c(Cl)cncc1-c1ccc(cc1)-c1cnn(C)c1
Show InChI InChI=1S/C26H32ClN5O/c1-30-19-22(16-29-30)20-4-6-21(7-5-20)23-17-28-18-24(27)25(23)31-12-9-26(10-13-31)8-3-11-32(26)14-15-33-2/h4-7,16-19H,3,8-15H2,1-2H3
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n/an/a 702n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163761
PNG
(CHEMBL3798778)
Show SMILES COCCN1CCCC11CCN(CC1)c1c(Cl)cncc1-c1ccc2N(C)S(=O)(=O)Cc2c1
Show InChI InChI=1S/C24H31ClN4O3S/c1-27-22-5-4-18(14-19(22)17-33(27,30)31)20-15-26-16-21(25)23(20)28-10-7-24(8-11-28)6-3-9-29(24)12-13-32-2/h4-5,14-16H,3,6-13,17H2,1-2H3
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n/an/a 49n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163762
PNG
(CHEMBL3800399)
Show SMILES COCCCN1CCCC11CCN(CC1)c1c(Cl)cncc1-c1ccc2N(C)S(=O)(=O)Cc2c1
Show InChI InChI=1S/C25H33ClN4O3S/c1-28-23-6-5-19(15-20(23)18-34(28,31)32)21-16-27-17-22(26)24(21)29-12-8-25(9-13-29)7-3-10-30(25)11-4-14-33-2/h5-6,15-17H,3-4,7-14,18H2,1-2H3
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n/an/a 141n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163764
PNG
(CHEMBL3798362)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(F)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C23H24FN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)
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n/an/a 79n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163792
PNG
(CHEMBL3798611)
Show SMILES CN1C(=O)NC(=O)C11CCN(CC1)c1c(Cl)cncc1-c1ccc(cc1)-c1cnn(C)c1
Show InChI InChI=1S/C23H23ClN6O2/c1-28-14-17(11-26-28)15-3-5-16(6-4-15)18-12-25-13-19(24)20(18)30-9-7-23(8-10-30)21(31)27-22(32)29(23)2/h3-6,11-14H,7-10H2,1-2H3,(H,27,31,32)
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n/an/a 18n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163767
PNG
(CHEMBL3798944)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C26H30ClN5O2/c1-25(2,34)17-32-16-20(13-30-32)18-3-5-19(6-4-18)21-14-28-15-22(27)23(21)31-11-8-26(9-12-31)7-10-29-24(26)33/h3-6,13-16,34H,7-12,17H2,1-2H3,(H,29,33)
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n/an/a 1.60n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163769
PNG
(CHEMBL3798318)
Show SMILES Clc1cncc(-c2ccc(cc2)-c2cnn(CCN3CCCC3)c2)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C28H33ClN6O/c29-25-19-30-18-24(26(25)34-13-8-28(9-14-34)7-10-31-27(28)36)22-5-3-21(4-6-22)23-17-32-35(20-23)16-15-33-11-1-2-12-33/h3-6,17-20H,1-2,7-16H2,(H,31,36)
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n/an/a 27n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163773
PNG
(CHEMBL3797317)
Show SMILES CN1c2cc(ccc2CS1(=O)=O)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C21H23ClN4O3S/c1-25-18-10-14(2-3-15(18)13-30(25,28)29)16-11-23-12-17(22)19(16)26-8-5-21(6-9-26)4-7-24-20(21)27/h2-3,10-12H,4-9,13H2,1H3,(H,24,27)
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n/an/a 3.70n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163777
PNG
(CHEMBL3799307)
Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cncc(Cl)c1N1CCC2(CNC(=O)O2)CC1
Show InChI InChI=1S/C20H21ClN4O4S/c1-24-17-3-2-13(8-14(17)11-30(24,27)28)15-9-22-10-16(21)18(15)25-6-4-20(5-7-25)12-23-19(26)29-20/h2-3,8-10H,4-7,11-12H2,1H3,(H,23,26)
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n/an/a 2.30n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163778
PNG
(CHEMBL3800432)
Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cncc(Cl)c1N1CCC2(CC1)OC(=O)NC2(C)C
Show InChI InChI=1S/C22H25ClN4O4S/c1-21(2)22(31-20(28)25-21)6-8-27(9-7-22)19-16(11-24-12-17(19)23)14-4-5-18-15(10-14)13-32(29,30)26(18)3/h4-5,10-12H,6-9,13H2,1-3H3,(H,25,28)
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n/an/a 14n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163784
PNG
(CHEMBL3798804)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cnc(N)c(Cl)c1N1CCC2(CC1)NC(=O)NC2=O
Show InChI InChI=1S/C22H22ClN7O2/c1-29-12-15(10-26-29)13-2-4-14(5-3-13)16-11-25-19(24)17(23)18(16)30-8-6-22(7-9-30)20(31)27-21(32)28-22/h2-5,10-12H,6-9H2,1H3,(H2,24,25)(H2,27,28,31,32)
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n/an/a 2.80n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163790
PNG
(CHEMBL3799592)
Show SMILES Cn1nc(N)c2ccc(cc12)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C21H23ClN6O/c1-27-17-10-13(2-3-14(17)19(23)26-27)15-11-24-12-16(22)18(15)28-8-5-21(6-9-28)4-7-25-20(21)29/h2-3,10-12H,4-9H2,1H3,(H2,23,26)(H,25,29)
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n/an/a 3.20n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM50163750
PNG
(CHEMBL3797292)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](O)[C@H](Cc1ccccc1)n1cc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1
Show InChI InChI=1S/C36H46N6O7S/c1-25(2)23-42(50(46,47)31-18-16-30(48-6)17-19-31)34(44)32(20-26-10-8-7-9-11-26)41-24-29(39-40-41)22-37-33(43)28-14-12-27(13-15-28)21-38-35(45)49-36(3,4)5/h7-19,24-25,32,34,44H,20-23H2,1-6H3,(H,37,43)(H,38,45)/t32-,34-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease after 48 hrs by micro-titer plate assay


J Med Chem 59: 2849-78 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00497
BindingDB Entry DOI: 10.7270/Q2JH3P3H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50163765
PNG
(CHEMBL3799116)
Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cncc(F)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C21H23FN4O3S/c1-25-18-3-2-14(10-15(18)13-30(25,28)29)16-11-23-12-17(22)19(16)26-8-5-21(6-9-26)4-7-24-20(21)27/h2-3,10-12H,4-9,13H2,1H3,(H,24,27)
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n/an/a 3.80n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged CDK8 (unknown origin) after 60 mins by FRET based lanthascreen binding assay


J Med Chem 59: 1078-101 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01685
BindingDB Entry DOI: 10.7270/Q29025P6
More data for this
Ligand-Target Pair