Found 256 hits of ic50 for UniProtKB: P51946 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02064
BindingDB Entry DOI: 10.7270/Q2SB49QV |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50300690
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| US Patent
| n/a | n/a | 0.623 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Table 7 For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phas... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2154MW8 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50300690
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| US Patent
| n/a | n/a | 0.623 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2154MW8 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM139540
(US10189849, staurosporine | US10307427, Staurospor...)Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.623 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Table 7 For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phas... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2154MW8 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50300690
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| US Patent
| n/a | n/a | 0.623 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Table 7 For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phas... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2154MW8 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50377170
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.996 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Table 7 For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phas... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2154MW8 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM139540
(US10189849, staurosporine | US10307427, Staurospor...)Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.996 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Table 7 For most assays, kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phas... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2154MW8 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50377170
(CHEMBL256570 | US11254667, Compound I-2 | US115422...)Show InChI InChI=1S/C17H18ClN5/c18-12-4-5-17-20-10-15(23(17)11-12)14-2-1-3-16(22-14)21-13-6-8-19-9-7-13/h1-5,10-11,13,19H,6-9H2,(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.996 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2154MW8 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50553499
(CHEMBL4754493)Show SMILES Cn1ncc(c1CC1CC1)-c1nc(N[C@H]2CC[C@H](N)CC2)ncc1Cl |r,wU:14.15,wD:17.19,(8.24,3.69,;6.99,4.59,;6.99,6.13,;5.53,6.61,;4.62,5.36,;5.53,4.12,;5.05,2.65,;6.08,1.51,;7.54,1.03,;6.4,,;3.08,5.36,;2.31,6.69,;.77,6.69,;,8.03,;.77,9.36,;,10.7,;.77,12.03,;2.31,12.03,;3.08,13.36,;3.08,10.7,;2.31,9.36,;,5.36,;.77,4.03,;2.31,4.03,;3.08,2.69,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| 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.1c02064
BindingDB Entry DOI: 10.7270/Q2SB49QV |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50193093
(RGB-286638)Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
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 |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/cyclin H (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50378657
(CHEMBL1230607)Show SMILES CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C Show InChI InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/cyclin H by scintillation proximity assay |
Bioorg Med Chem 18: 1844-53 (2010)
Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM12116
(3-(Indol-2-yl)indazole 6 | 3-[5-(morpholin-4-ylmet...)Show SMILES N#Cc1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1 Show InChI InChI=1S/C21H19N5O/c22-12-14-1-3-17-19(10-14)24-25-21(17)20-11-16-9-15(2-4-18(16)23-20)13-26-5-7-27-8-6-26/h1-4,9-11,23H,5-8,13H2,(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
| Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin... |
Bioorg Med Chem Lett 16: 6049-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50110178
(CHEMBL3603847 | US10787436, Compound I-23)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 11.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute, Inc.
US Patent
| Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ... |
US Patent US10787436 (2020)
BindingDB Entry DOI: 10.7270/Q20G3P6J |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50526794
(CHEMBL4303287 | US10787436, Compound I-18)Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)15-7-14-28(40)35-21-9-5-8-20(16-21)30(41)36-22-10-6-11-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-13-4-3-12-24(25)27/h3-14,16-19,33H,15H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b14-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 13.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute, Inc.
US Patent
| Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ... |
US Patent US10787436 (2020)
BindingDB Entry DOI: 10.7270/Q20G3P6J |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM464083
(US10787436, Compound I-19)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(Cl)c(Nc2ncc(C)c(n2)-c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C32H30ClN7O2/c1-20-18-35-32(39-30(20)25-19-34-27-8-5-4-7-24(25)27)38-28-17-23(14-15-26(28)33)37-31(42)21-10-12-22(13-11-21)36-29(41)9-6-16-40(2)3/h4-15,17-19,34H,16H2,1-3H3,(H,36,41)(H,37,42)(H,35,38,39)/b9-6+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 15.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute, Inc.
US Patent
| Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ... |
US Patent US10787436 (2020)
BindingDB Entry DOI: 10.7270/Q20G3P6J |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM12124
(3-(Indol-2-yl)indazole 14 | 4-{3-[5-(piperidin-1-y...)Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1cnsc1 Show InChI InChI=1S/C24H23N5S/c1-2-8-29(9-3-1)14-16-4-7-21-18(10-16)12-23(26-21)24-20-6-5-17(11-22(20)27-28-24)19-13-25-30-15-19/h4-7,10-13,15,26H,1-3,8-9,14H2,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
| Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin... |
Bioorg Med Chem Lett 16: 6049-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM464084
(US10787436, Compound I-20)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cc(Nc2ncc(C)c(n2)-c2c[nH]c3ccccc23)c(Cl)cc1C Show InChI InChI=1S/C33H32ClN7O2/c1-20-16-26(34)29(39-33-36-18-21(2)31(40-33)25-19-35-27-9-6-5-8-24(25)27)17-28(20)38-32(43)22-11-13-23(14-12-22)37-30(42)10-7-15-41(3)4/h5-14,16-19,35H,15H2,1-4H3,(H,37,42)(H,38,43)(H,36,39,40)/b10-7+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 20.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute, Inc.
US Patent
| Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ... |
US Patent US10787436 (2020)
BindingDB Entry DOI: 10.7270/Q20G3P6J |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50347389
(CHEMBL1801932)Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27) | PDB
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Imperial College London
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/cyclinH/MAT1 assessed as amount of ATP released by luciferase activity based PKLight assay |
J Med Chem 53: 8508-22 (2010)
Article DOI: 10.1021/jm100732t
BindingDB Entry DOI: 10.7270/Q2B858GZ |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM464085
(US10787436, Compound I-21)Show SMILES CCc1cnc(Nc2cccc(NC(=O)c3ccc(NC(=O)\C=C\CN(C)C)cc3)c2)nc1-c1c[nH]c2ccccc12 Show InChI InChI=1S/C33H33N7O2/c1-4-22-20-35-33(39-31(22)28-21-34-29-12-6-5-11-27(28)29)38-26-10-7-9-25(19-26)37-32(42)23-14-16-24(17-15-23)36-30(41)13-8-18-40(2)3/h5-17,19-21,34H,4,18H2,1-3H3,(H,36,41)(H,37,42)(H,35,38,39)/b13-8+ | PDB
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UniChem
| US Patent
| n/a | n/a | 22.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute, Inc.
US Patent
| Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ... |
US Patent US10787436 (2020)
BindingDB Entry DOI: 10.7270/Q20G3P6J |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM12121
(3-(Indol-2-yl)indazole 11 | 4-({2-[6-(1H-pyrazol-4...)Show SMILES C(N1CCOCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1cn[nH]c1 Show InChI InChI=1S/C23H22N6O/c1-4-20-17(9-15(1)14-29-5-7-30-8-6-29)11-22(26-20)23-19-3-2-16(10-21(19)27-28-23)18-12-24-25-13-18/h1-4,9-13,26H,5-8,14H2,(H,24,25)(H,27,28) | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
| Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin... |
Bioorg Med Chem Lett 16: 6049-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50511926
(CHEMBL4442620)Show SMILES C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02064
BindingDB Entry DOI: 10.7270/Q2SB49QV |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM464086
(US10787436, Compound I-22)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C32H30ClN7O2/c1-20-10-13-23(37-31(42)21-11-14-22(15-12-21)36-29(41)9-6-16-40(2)3)17-28(20)38-32-35-19-26(33)30(39-32)25-18-34-27-8-5-4-7-24(25)27/h4-15,17-19,34H,16H2,1-3H3,(H,36,41)(H,37,42)(H,35,38,39)/b9-6+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 32.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute, Inc.
US Patent
| Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ... |
US Patent US10787436 (2020)
BindingDB Entry DOI: 10.7270/Q20G3P6J |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM621179
(US20230303564, Compound 21)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N[C@H]3CCCC3(F)F)c2n1)C(F)F |r| | PDB
MMDB
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KEGG
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| PC cid
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UniChem
| | n/a | n/a | 32.9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50110178
(CHEMBL3603847 | US10787436, Compound I-23)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+ | PDB
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| US Patent
| n/a | n/a | 33.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute, Inc.
US Patent
| Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ... |
US Patent US10787436 (2020)
BindingDB Entry DOI: 10.7270/Q20G3P6J |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM12123
(3-(Indol-2-yl)indazole 13 | 4-({2-[6-(1H-pyrazol-5...)Show SMILES C(N1CCOCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1cc[nH]n1 Show InChI InChI=1S/C23H22N6O/c1-4-19-17(11-15(1)14-29-7-9-30-10-8-29)13-22(25-19)23-18-3-2-16(12-21(18)27-28-23)20-5-6-24-26-20/h1-6,11-13,25H,7-10,14H2,(H,24,26)(H,27,28) | PDB
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| PC cid
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PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
| Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin... |
Bioorg Med Chem Lett 16: 6049-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM464104
(US10787436, Compound I-42)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(c(n2)-c2c[nH]c3ccccc23)C(F)(F)F)c1 Show InChI InChI=1S/C32H28F3N7O2/c1-42(2)16-6-11-28(43)38-21-14-12-20(13-15-21)30(44)39-22-7-5-8-23(17-22)40-31-37-19-26(32(33,34)35)29(41-31)25-18-36-27-10-4-3-9-24(25)27/h3-15,17-19,36H,16H2,1-2H3,(H,38,43)(H,39,44)(H,37,40,41)/b11-6+ | PDB
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KEGG
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 35.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute, Inc.
US Patent
| Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ... |
US Patent US10787436 (2020)
BindingDB Entry DOI: 10.7270/Q20G3P6J |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM464105
(US10787436, Compound I-43)Show SMILES CN(C)C\C=C\C(=O)NCc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C32H30ClN7O2/c1-40(2)16-6-11-29(41)35-18-21-12-14-22(15-13-21)31(42)37-23-7-5-8-24(17-23)38-32-36-20-27(33)30(39-32)26-19-34-28-10-4-3-9-25(26)28/h3-15,17,19-20,34H,16,18H2,1-2H3,(H,35,41)(H,37,42)(H,36,38,39)/b11-6+ | PDB
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KEGG
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 36.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute, Inc.
US Patent
| Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ... |
US Patent US10787436 (2020)
BindingDB Entry DOI: 10.7270/Q20G3P6J |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50358214
(CHEMBL454617)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C18H25N7O/c1-4-13(10-26)22-18-23-16(20-9-14-7-5-6-8-19-14)15-17(24-18)25(11-21-15)12(2)3/h5-8,11-13,26H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t13-/m1/s1 | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/cyclin H |
Bioorg Med Chem 19: 6949-65 (2011)
Article DOI: 10.1016/j.bmc.2011.08.051
BindingDB Entry DOI: 10.7270/Q2NP24V1 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM464088
(US10787436, Compound I-24)Show SMILES Cc1ccc(NC(=O)c2ccc(NC(=O)C=C)cc2)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C29H23ClN6O2/c1-3-26(37)33-19-12-9-18(10-13-19)28(38)34-20-11-8-17(2)25(14-20)35-29-32-16-23(30)27(36-29)22-15-31-24-7-5-4-6-21(22)24/h3-16,31H,1H2,2H3,(H,33,37)(H,34,38)(H,32,35,36) | PDB
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KEGG
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute, Inc.
US Patent
| Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ... |
US Patent US10787436 (2020)
BindingDB Entry DOI: 10.7270/Q20G3P6J |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM621172
(US20230303564, Compound 6 | US20230303564, Compoun...)Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(N[C@@H]2CCC[C@@]2(C)O)n1 |r| | PDB
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| PC cid
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UniChem
| | n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM27217
((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(12-26)22-18-23-17-16(13(2)3)11-21-25(17)19(24-18)20-10-14-8-6-5-7-9-14/h5-9,11,13,15,26H,4,10,12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
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| DrugBank
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| Article
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Palermo
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK7/cyclin H using histone H1 and [gamma-33P]ATP incubated fro 30 mins by scintillation counting analysis |
Eur J Med Chem 142: 523-549 (2017)
Article DOI: 10.1016/j.ejmech.2017.09.035
BindingDB Entry DOI: 10.7270/Q2HH6NRF |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM525738
(US11174252, Compound 33)Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)C2CCN(C)CC2)ncc1F | PDB
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UniChem
| US Patent
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
CDK7 (cyclin H): IC50 values of compounds against CDK7 (cyclin H) were determined by Adapta™ Assay at Invitrogen Life Technologies (Grand Island... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D2Z99 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM12131
((5-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-...)Show SMILES OCc1[nH]nnc1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C24H25N7O/c32-14-22-23(29-30-27-22)16-5-6-18-20(11-16)26-28-24(18)21-12-17-10-15(4-7-19(17)25-21)13-31-8-2-1-3-9-31/h4-7,10-12,25,32H,1-3,8-9,13-14H2,(H,26,28)(H,27,29,30) | PDB
MMDB
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Reactome pathway
KEGG
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| MMDB
PC cid
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PDB
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| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
| Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin... |
Bioorg Med Chem Lett 16: 6049-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM12126
(3-(Indol-2-yl)indazole 16 | 3-[5-(piperidin-1-ylme...)Show SMILES C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-n1ccnn1 Show InChI InChI=1S/C23H23N7/c1-2-9-29(10-3-1)15-16-4-7-20-17(12-16)13-22(25-20)23-19-6-5-18(14-21(19)26-27-23)30-11-8-24-28-30/h4-8,11-14,25H,1-3,9-10,15H2,(H,26,27) | PDB
MMDB
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| PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
| Assay Description
The IMAP technology is based on the high affinity binding of phosphate by immobilized metal coordination complexes on nanoparticles. This IMAP bindin... |
Bioorg Med Chem Lett 16: 6049-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50598078
(CHEMBL5207141)Show SMILES CCN1C(=O)COc2c(CN3CCN(CC3)C(C)=O)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12 | PDB
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| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114461
BindingDB Entry DOI: 10.7270/Q2154N2X |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | PDB
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| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02064
BindingDB Entry DOI: 10.7270/Q2SB49QV |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50573510
(CHEMBL4866812)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK7/Cyclin H (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM59227
(Pyrazolopyrimidone analog, RGB-286147)Show SMILES CC(C)c1nn(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCO)cc3)[nH]c(=O)c12 |(-2.33,5.73,;-1.56,4.39,;-.02,4.39,;-2.33,3.06,;-1.43,1.81,;-2.33,.57,;-1.93,-.92,;-.44,-1.32,;.64,-.23,;-.05,-2.8,;-1.13,-3.89,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-3.79,1.04,;-5.13,.27,;-6.46,1.04,;-7.8,.27,;-9.13,1.04,;-10.46,.27,;-11.8,1.04,;-11.8,2.58,;-13.13,3.35,;-14.46,2.58,;-15.8,3.35,;-17.13,2.58,;-10.46,3.35,;-9.13,2.58,;-6.46,2.58,;-5.13,3.35,;-5.13,4.89,;-3.79,2.58,)| Show InChI InChI=1S/C23H22Cl2N4O3/c1-13(2)20-19-22(29(28-20)21-16(24)4-3-5-17(21)25)26-18(27-23(19)31)12-14-6-8-15(9-7-14)32-11-10-30/h3-9,13,30H,10-12H2,1-2H3,(H,26,27,31) | PDB
MMDB
NCI pathway
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| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Inhibition of Cdk7/H/MAT1 |
Proc Natl Acad Sci USA 104: 20523-8 (2007)
Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50573512
(CHEMBL4748005)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK7/Cyclin H (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113481
BindingDB Entry DOI: 10.7270/Q22B92TP |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50573929
(CHEMBL4848734)Show SMILES CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CDK7/cyclin-H using MBP as substrate incubated for 2 hrs by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00271
BindingDB Entry DOI: 10.7270/Q2ZG6X2G |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM621180
(US20230303564, Compound 22)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N[C@@H]3CCCC3(F)F)c2n1)C(F)F |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 80.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50553480
(CHEMBL4741442)Show SMILES C[C@H](CO)Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1Br |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
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| PC cid
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| Article
PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02064
BindingDB Entry DOI: 10.7270/Q2SB49QV |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM525750
(US11174252, Compound 437)Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccn(C3CCNCC3)c(=O)c2)ncc1F | PDB
MMDB
NCI pathway
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KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
CDK7 (cyclin H): IC50 values of compounds against CDK7 (cyclin H) were determined by Adapta™ Assay at Invitrogen Life Technologies (Grand Island... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D2Z99 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM464089
(US10787436, Compound I-25)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(Cl)c(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1 Show InChI InChI=1S/C31H27Cl2N7O2/c1-40(2)15-5-8-28(41)36-20-11-9-19(10-12-20)30(42)37-21-13-14-24(32)27(16-21)38-31-35-18-25(33)29(39-31)23-17-34-26-7-4-3-6-22(23)26/h3-14,16-18,34H,15H2,1-2H3,(H,36,41)(H,37,42)(H,35,38,39)/b8-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 87.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute, Inc.
US Patent
| Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ... |
US Patent US10787436 (2020)
BindingDB Entry DOI: 10.7270/Q20G3P6J |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50425008
(CHEMBL2312185)Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1C#N Show InChI InChI=1S/C21H24N8S/c1-14-19(30-21(23-2)26-14)18-15(12-22)13-25-20(28-18)27-16-5-3-6-17(11-16)29-9-4-7-24-8-10-29/h3,5-6,11,13,24H,4,7-10H2,1-2H3,(H,23,26)(H,25,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant His6 tagged CDK7/CyclinH/MAT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis |
J Med Chem 56: 640-59 (2013)
Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM464107
(US10787436, Compound I-50)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2sc(C)nc2C)c1 Show InChI InChI=1S/C28H28ClN7O2S/c1-17-26(39-18(2)31-17)25-23(29)16-30-28(35-25)34-22-8-5-7-21(15-22)33-27(38)19-10-12-20(13-11-19)32-24(37)9-6-14-36(3)4/h5-13,15-16H,14H2,1-4H3,(H,32,37)(H,33,38)(H,30,34,35)/b9-6+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 92.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute, Inc.
US Patent
| Assay Description
In vitro kinase assays with immunoprecipitated proteins (or recombinant CAK complexes) were performed as follows. Kinase reactions were performed in ... |
US Patent US10787436 (2020)
BindingDB Entry DOI: 10.7270/Q20G3P6J |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50564275
(CHEMBL4778367)Show SMILES CC(C)c1cn2c(n1)c(C(C)=O)c(C)c1cnc(Nc3ccc(cc3)N3CCNCC3)nc21 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
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| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK7/cyclin H (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112239
BindingDB Entry DOI: 10.7270/Q27S7SHM |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM525729
(US11174252, Compound 24)Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C3CCN(C)CC3)c(F)c2)ncc1F | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
CDK7 (cyclin H): IC50 values of compounds against CDK7 (cyclin H) were determined by Adapta™ Assay at Invitrogen Life Technologies (Grand Island... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q27D2Z99 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50573930
(CHEMBL4856177)Show SMILES CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ccnc3c2)N2CCN(C)CC2)n1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CDK7/cyclin-H using MBP as substrate incubated for 2 hrs by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00271
BindingDB Entry DOI: 10.7270/Q2ZG6X2G |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50431284
(CHEMBL2347575)Show SMILES CC[C@@H](Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1)C(C)O |r| Show InChI InChI=1S/C20H27ClN6O2/c1-5-15(12(4)28)24-20-25-18(17-19(26-20)27(10-23-17)11(2)3)22-9-13-8-14(21)6-7-16(13)29/h6-8,10-12,15,28-29H,5,9H2,1-4H3,(H2,22,24,25,26)/t12?,15-/m1/s1 | PDB
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Reactome pathway
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| CHEMBL
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PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/CyclinH/MAT1 (unknown origin) using (YSPTSPS)2KK as substrate |
Eur J Med Chem 61: 61-72 (2013)
Article DOI: 10.1016/j.ejmech.2012.06.036
BindingDB Entry DOI: 10.7270/Q2QC04W7 |
More data for this
Ligand-Target Pair | |
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