Found 829 hits with Last Name = 'busch' and Initial = 'm' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50189412
(CHEMBL3827983)Show SMILES CNC(=O)c1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1 Show InChI InChI=1S/C20H17N5O/c1-21-20(26)18-8-7-15-9-22-11-17(19(15)24-18)14-5-3-13(4-6-14)16-10-23-25(2)12-16/h3-12H,1-2H3,(H,21,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24... |
ACS Med Chem Lett 7: 573-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50189417
(CHEMBL3828116)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)C(N)=O Show InChI InChI=1S/C19H15N5O/c1-24-11-15(9-22-24)12-2-4-13(5-3-12)16-10-21-8-14-6-7-17(19(20)25)23-18(14)16/h2-11H,1H3,(H2,20,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24... |
ACS Med Chem Lett 7: 573-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50191472
(CHEMBL3956719)Show SMILES Cc1n[nH]c2ccc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H18ClN3O/c1-12-16-11-14(6-9-17(16)22-21-12)19(24)23-10-2-3-18(23)13-4-7-15(20)8-5-13/h4-9,11,18H,2-3,10H2,1H3,(H,21,22)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA
Curated by ChEMBL
| Assay Description
Inhibition of CDK8 in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24 hrs by luciferase reporter gene ... |
J Med Chem 59: 9337-9349 (2016)
BindingDB Entry DOI: 10.7270/Q2K64M1C |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50189435
(CHEMBL3828003)Show SMILES CNC(=O)c1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2c1 Show InChI InChI=1S/C21H18N4O/c1-22-21(26)16-7-8-17-10-23-12-20(19(17)9-16)15-5-3-14(4-6-15)18-11-24-25(2)13-18/h3-13H,1-2H3,(H,22,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24... |
ACS Med Chem Lett 7: 573-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50189434
(CHEMBL3828221)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)-c1nccn1C Show InChI InChI=1S/C22H18N6/c1-27-10-9-24-22(27)20-8-7-17-11-23-13-19(21(17)26-20)16-5-3-15(4-6-16)18-12-25-28(2)14-18/h3-14H,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647... |
ACS Med Chem Lett 7: 573-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50189415
(CHEMBL3828637)Show SMILES CNC(=O)c1ccc2cncc(-c3ccc4N(C)S(=O)(=O)Cc4c3)c2n1 Show InChI InChI=1S/C18H16N4O3S/c1-19-18(23)15-5-3-12-8-20-9-14(17(12)21-15)11-4-6-16-13(7-11)10-26(24,25)22(16)2/h3-9H,10H2,1-2H3,(H,19,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647... |
ACS Med Chem Lett 7: 573-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-C
(Homo sapiens (Human)) | BDBM50189428
(CHEMBL3828458)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)N1CCNC1=O Show InChI InChI=1S/C21H18N6O/c1-26-13-17(11-24-26)14-2-4-15(5-3-14)18-12-22-10-16-6-7-19(25-20(16)18)27-9-8-23-21(27)28/h2-7,10-13H,8-9H2,1H3,(H,23,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647... |
ACS Med Chem Lett 7: 573-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50189436
(CHEMBL3827327)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(cc12)C(=O)NC1CC1 Show InChI InChI=1S/C23H20N4O/c1-27-14-19(12-25-27)15-2-4-16(5-3-15)22-13-24-11-18-7-6-17(10-21(18)22)23(28)26-20-8-9-20/h2-7,10-14,20H,8-9H2,1H3,(H,26,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24... |
ACS Med Chem Lett 7: 573-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50189447
(CHEMBL3828553)Show SMILES COC1CN(C1)C(=O)c1ccc2c(N)ncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1 Show InChI InChI=1S/C23H22N6O2/c1-28-11-16(9-26-28)14-3-5-15(6-4-14)19-10-25-22(24)18-7-8-20(27-21(18)19)23(30)29-12-17(13-29)31-2/h3-11,17H,12-13H2,1-2H3,(H2,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647... |
ACS Med Chem Lett 7: 573-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50069989
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50191414
(CHEMBL3947140)Show SMILES Cc1n[nH]c2ccc(nc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H17ClN4O/c1-11-17-14(22-21-11)8-9-15(20-17)18(24)23-10-2-3-16(23)12-4-6-13(19)7-5-12/h4-9,16H,2-3,10H2,1H3,(H,21,22)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA
Curated by ChEMBL
| Assay Description
Inhibition of Alexa647 tracer binding to full length recombinant human His-tagged CDK8/cyclin C expressed in Baculovirus expression system preincubat... |
J Med Chem 59: 9337-9349 (2016)
BindingDB Entry DOI: 10.7270/Q2K64M1C |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50191472
(CHEMBL3956719)Show SMILES Cc1n[nH]c2ccc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H18ClN3O/c1-12-16-11-14(6-9-17(16)22-21-12)19(24)23-10-2-3-18(23)13-4-7-15(20)8-5-13/h4-9,11,18H,2-3,10H2,1H3,(H,21,22)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA
Curated by ChEMBL
| Assay Description
Inhibition of Alexa647 tracer binding to full length recombinant human His-tagged CDK8/cyclin C expressed in Baculovirus expression system preincubat... |
J Med Chem 59: 9337-9349 (2016)
BindingDB Entry DOI: 10.7270/Q2K64M1C |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50189417
(CHEMBL3828116)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)C(N)=O Show InChI InChI=1S/C19H15N5O/c1-24-11-15(9-22-24)12-2-4-13(5-3-12)16-10-21-8-14-6-7-17(19(20)25)23-18(14)16/h2-11H,1H3,(H2,20,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647... |
ACS Med Chem Lett 7: 573-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50163767
(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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50163774
(CHEMBL3797855)Show SMILES Nc1n[nH]c2cc(ccc12)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C20H21ClN6O/c21-15-11-23-10-14(12-1-2-13-16(9-12)25-26-18(13)22)17(15)27-7-4-20(5-8-27)3-6-24-19(20)28/h1-2,9-11H,3-8H2,(H,24,28)(H3,22,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50601642
(CHEMBL5188533)Show SMILES CCc1cccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccn2)B(O)O)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-C
(Homo sapiens (Human)) | BDBM50191373
(CHEMBL3966985)Show SMILES Cc1n[nH]c2ccc(cc12)C(=O)N1CC[C@H]1c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H16ClN3O/c1-11-15-10-13(4-7-16(15)21-20-11)18(23)22-9-8-17(22)12-2-5-14(19)6-3-12/h2-7,10,17H,8-9H2,1H3,(H,20,21)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA
Curated by ChEMBL
| Assay Description
Inhibition of Alexa647 tracer binding to full length recombinant human His-tagged CDK8/cyclin C expressed in Baculovirus expression system preincubat... |
J Med Chem 59: 9337-9349 (2016)
BindingDB Entry DOI: 10.7270/Q2K64M1C |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50189415
(CHEMBL3828637)Show SMILES CNC(=O)c1ccc2cncc(-c3ccc4N(C)S(=O)(=O)Cc4c3)c2n1 Show InChI InChI=1S/C18H16N4O3S/c1-19-18(23)15-5-3-12-8-20-9-14(17(12)21-15)11-4-6-16-13(7-11)10-26(24,25)22(16)2/h3-9H,10H2,1-2H3,(H,19,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24... |
ACS Med Chem Lett 7: 573-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM388435
(US10294246, Compound No. 132)Show SMILES OB(O)[C@H](C[C@@H]1COc2c1cccc2Cl)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C18H19BClNO4/c20-15-8-4-7-14-13(11-25-18(14)15)10-16(19(23)24)21-17(22)9-12-5-2-1-3-6-12/h1-8,13,16,23-24H,9-11H2,(H,21,22)/t13-,16+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50189426
(CHEMBL3827944)Show SMILES CC(=O)Nc1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1 Show InChI InChI=1S/C20H17N5O/c1-13(26)23-19-8-7-16-9-21-11-18(20(16)24-19)15-5-3-14(4-6-15)17-10-22-25(2)12-17/h3-12H,1-2H3,(H,23,24,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647... |
ACS Med Chem Lett 7: 573-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM388321
(US10294246, Compound No. 18)Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1cnccn1 |r| Show InChI InChI=1S/C16H16BN3O4/c21-16(8-12-9-18-5-6-19-12)20-15(17(22)23)7-11-10-24-14-4-2-1-3-13(11)14/h1-6,9-10,15,22-23H,7-8H2,(H,20,21)/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50601652
(CHEMBL5191857) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50163857
(CHEMBL3798853)Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cnc(N)c(Cl)c1N1CCC2(CNC(=O)O2)CC1 Show InChI InChI=1S/C20H22ClN5O4S/c1-25-15-3-2-12(8-13(15)10-31(25,28)29)14-9-23-18(22)16(21)17(14)26-6-4-20(5-7-26)11-24-19(27)30-20/h2-3,8-9H,4-7,10-11H2,1H3,(H2,22,23)(H,24,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50191373
(CHEMBL3966985)Show SMILES Cc1n[nH]c2ccc(cc12)C(=O)N1CC[C@H]1c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H16ClN3O/c1-11-15-10-13(4-7-16(15)21-20-11)18(23)22-9-8-17(22)12-2-5-14(19)6-3-12/h2-7,10,17H,8-9H2,1H3,(H,20,21)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA
Curated by ChEMBL
| Assay Description
Inhibition of CDK8 in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24 hrs by luciferase reporter gene ... |
J Med Chem 59: 9337-9349 (2016)
BindingDB Entry DOI: 10.7270/Q2K64M1C |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50154956
(CHEMBL3775317)Show SMILES Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CC[C@@H](O)C2)cc1 |r| Show InChI InChI=1S/C23H23N5O2/c1-27-13-18(12-24-27)16-4-2-15(3-5-16)10-22-20-11-17(6-7-21(20)25-26-22)23(30)28-9-8-19(29)14-28/h2-7,11-13,19,29H,8-10,14H2,1H3,(H,25,26)/t19-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA
Curated by ChEMBL
| Assay Description
Displacement of dye-labeled ATP competitive probe from recombinant human CDK8/Cyclin C incubated for 20 mins by Alexa647 probe-based FRET assay |
Bioorg Med Chem Lett 26: 1443-51 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.062
BindingDB Entry DOI: 10.7270/Q2NZ89G6 |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50154942
(CHEMBL3775076)Show SMILES Cn1ncc2cc(Cc3n[nH]c4ccc(cc34)C(=O)N3CCC(F)(F)C3)ccc12 Show InChI InChI=1S/C21H19F2N5O/c1-27-19-5-2-13(8-15(19)11-24-27)9-18-16-10-14(3-4-17(16)25-26-18)20(29)28-7-6-21(22,23)12-28/h2-5,8,10-11H,6-7,9,12H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA
Curated by ChEMBL
| Assay Description
Displacement of dye-labeled ATP competitive probe from recombinant human CDK8/Cyclin C incubated for 20 mins by Alexa647 probe-based FRET assay |
Bioorg Med Chem Lett 26: 1443-51 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.062
BindingDB Entry DOI: 10.7270/Q2NZ89G6 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50189420
(CHEMBL3827799)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)C(=O)N1CCC1 Show InChI InChI=1S/C22H19N5O/c1-26-14-18(12-24-26)15-3-5-16(6-4-15)19-13-23-11-17-7-8-20(25-21(17)19)22(28)27-9-2-10-27/h3-8,11-14H,2,9-10H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24... |
ACS Med Chem Lett 7: 573-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM388309
(US10294246, Compound No. 6)Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C18H18BNO4/c21-18(10-13-6-2-1-3-7-13)20-17(19(22)23)11-14-12-24-16-9-5-4-8-15(14)16/h1-9,12,17,22-23H,10-11H2,(H,20,21)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50163854
(CHEMBL3799581)Show SMILES Nc1n[nH]c2cc(ccc12)-c1cnc(N)c(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C20H22ClN7O/c21-15-16(28-7-4-20(5-8-28)3-6-24-19(20)29)13(10-25-18(15)23)11-1-2-12-14(9-11)26-27-17(12)22/h1-2,9-10H,3-8H2,(H2,23,25)(H,24,29)(H3,22,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50277889
(CARFILZOMIB | CHEMBL451887)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50189436
(CHEMBL3827327)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(cc12)C(=O)NC1CC1 Show InChI InChI=1S/C23H20N4O/c1-27-14-19(12-25-27)15-2-4-16(5-3-15)22-13-24-11-18-7-6-17(10-21(18)22)23(28)26-20-8-9-20/h2-7,10-14,20H,8-9H2,1H3,(H,26,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647... |
ACS Med Chem Lett 7: 573-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM388395
(US10294246, Compound No. 92)Show SMILES COc1cccc2c(C[C@H](NC(=O)Cc3ccccc3)B(O)O)coc12 |r| Show InChI InChI=1S/C19H20BNO5/c1-25-16-9-5-8-15-14(12-26-19(15)16)11-17(20(23)24)21-18(22)10-13-6-3-2-4-7-13/h2-9,12,17,23-24H,10-11H2,1H3,(H,21,22)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50163777
(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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50163855
(CHEMBL3799212)Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cnc(N)c(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C21H24ClN5O3S/c1-26-16-3-2-13(10-14(16)12-31(26,29)30)15-11-25-19(23)17(22)18(15)27-8-5-21(6-9-27)4-7-24-20(21)28/h2-3,10-11H,4-9,12H2,1H3,(H2,23,25)(H,24,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM388323
(US10294246, Compound No. 20)Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1ncccn1 |r| Show InChI InChI=1S/C16H16BN3O4/c21-16(9-15-18-6-3-7-19-15)20-14(17(22)23)8-11-10-24-13-5-2-1-4-12(11)13/h1-7,10,14,22-23H,8-9H2,(H,20,21)/t14-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50163795
(CHEMBL3798382)Show SMILES Cn1ncc2cc(ccc12)-c1cnc(N)c(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C21H23ClN6O/c1-27-16-3-2-13(10-14(16)11-26-27)15-12-25-19(23)17(22)18(15)28-8-5-21(6-9-28)4-7-24-20(21)29/h2-3,10-12H,4-9H2,1H3,(H2,23,25)(H,24,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM388311
(US10294246, Compound No. 8)Show SMILES OB(O)[C@H](Cc1coc2ccccc12)NC(=O)Cc1cccnc1 |r| Show InChI InChI=1S/C17H17BN2O4/c21-17(8-12-4-3-7-19-10-12)20-16(18(22)23)9-13-11-24-15-6-2-1-5-14(13)15/h1-7,10-11,16,22-23H,8-9H2,(H,20,21)/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50163781
(CHEMBL3798987)Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cncc(Cl)c1N1CCC2(CC1)NC(=O)NC2=O Show InChI InChI=1S/C20H20ClN5O4S/c1-25-16-3-2-12(8-13(16)11-31(25,29)30)14-9-22-10-15(21)17(14)26-6-4-20(5-7-26)18(27)23-19(28)24-20/h2-3,8-10H,4-7,11H2,1H3,(H2,23,24,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/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-C
(Homo sapiens (Human)) | BDBM50189427
(CHEMBL3827470)Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc2ccc(nc12)N1CCCC1=O Show InChI InChI=1S/C22H19N5O/c1-26-14-18(12-24-26)15-4-6-16(7-5-15)19-13-23-11-17-8-9-20(25-22(17)19)27-10-2-3-21(27)28/h4-9,11-14H,2-3,10H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Competitive binding affinity to full length His-tagged human recombinant CDK8/cyclin C expressed in baculovirus after 20 mins in presence of Alexa647... |
ACS Med Chem Lett 7: 573-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50163772
(CHEMBL3797571)Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C21H23ClN4O3S/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) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50163771
(CHEMBL3800311)Show SMILES Clc1cncc(-c2ccc3NS(=O)(=O)Cc3c2)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C20H21ClN4O3S/c21-16-11-22-10-15(13-1-2-17-14(9-13)12-29(27,28)24-17)18(16)25-7-4-20(5-8-25)3-6-23-19(20)26/h1-2,9-11,24H,3-8,12H2,(H,23,26) | PDB
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| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50189421
(CHEMBL3827118)Show SMILES COC1CN(C1)C(=O)c1ccc2cncc(-c3ccc(cc3)-c3cnn(C)c3)c2n1 Show InChI InChI=1S/C23H21N5O2/c1-27-12-18(10-25-27)15-3-5-16(6-4-15)20-11-24-9-17-7-8-21(26-22(17)20)23(29)28-13-19(14-28)30-2/h3-12,19H,13-14H2,1-2H3 | PDB
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| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Binding affinity to CDK8 (unknown origin) expressed in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24... |
ACS Med Chem Lett 7: 573-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00022
BindingDB Entry DOI: 10.7270/Q2N87CRB |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50191357
(CHEMBL3903492)Show SMILES Cc1n[nH]c2ncc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H17ClN4O/c1-11-15-9-13(10-20-17(15)22-21-11)18(24)23-8-2-3-16(23)12-4-6-14(19)7-5-12/h4-7,9-10,16H,2-3,8H2,1H3,(H,20,21,22)/t16-/m0/s1 | PDB
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| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA
Curated by ChEMBL
| Assay Description
Inhibition of Alexa647 tracer binding to full length recombinant human His-tagged CDK8/cyclin C expressed in Baculovirus expression system preincubat... |
J Med Chem 59: 9337-9349 (2016)
BindingDB Entry DOI: 10.7270/Q2K64M1C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Proteasome subunit beta type-9
(Homo sapiens (Human)) | BDBM50398609
(CHEMBL2141296 | IXAZOMIB CITRATE | Ixazomib | MLN2...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O Show InChI InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1 | PDB
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| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50163755
(CHEMBL3799396)Show SMILES CN1c2ccc(cc2CS1(=O)=O)-c1cncc(Cl)c1N1CCC2(CC1)C(C)=NNC2=O |c:30| Show InChI InChI=1S/C21H22ClN5O3S/c1-13-21(20(28)25-24-13)5-7-27(8-6-21)19-16(10-23-11-17(19)22)14-3-4-18-15(9-14)12-31(29,30)26(18)2/h3-4,9-11H,5-8,12H2,1-2H3,(H,25,28) | PDB
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| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50191414
(CHEMBL3947140)Show SMILES Cc1n[nH]c2ccc(nc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C18H17ClN4O/c1-11-17-14(22-21-11)8-9-15(20-17)18(24)23-10-2-3-16(23)12-4-6-13(19)7-5-12/h4-9,16H,2-3,10H2,1H3,(H,21,22)/t16-/m0/s1 | PDB
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| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA
Curated by ChEMBL
| Assay Description
Inhibition of CDK8 in human 7dF3 cells preincubated for 2 hrs followed by beta-oestradiol addition measured after 24 hrs by luciferase reporter gene ... |
J Med Chem 59: 9337-9349 (2016)
BindingDB Entry DOI: 10.7270/Q2K64M1C |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50163789
(CHEMBL3799824)Show SMILES CNc1n[nH]c2cc(ccc12)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1 Show InChI InChI=1S/C21H23ClN6O/c1-23-19-14-3-2-13(10-17(14)26-27-19)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,(H,25,29)(H2,23,26,27) | PDB
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| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Proteasome subunit beta type-9
(Homo sapiens (Human)) | BDBM50069989
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM388437
(US10294246, Compound No. 134)Show SMILES OB(O)[C@H](C[C@@H]1COc2c1cccc2Cl)NC(=O)Cc1ccccc1C#N |r| Show InChI InChI=1S/C19H18BClN2O4/c21-16-7-3-6-15-14(11-27-19(15)16)8-17(20(25)26)23-18(24)9-12-4-1-2-5-13(12)10-22/h1-7,14,17,25-26H,8-9,11H2,(H,23,24)/t14-,17+/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00604
BindingDB Entry DOI: 10.7270/Q200064W |
More data for this
Ligand-Target Pair | |
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