Found 157 hits with Last Name = 'mirza' and Initial = 'a' 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 |
|---|
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50599376
(CHEMBL3819011)Show SMILES O[C@@H](CNCCN(C1CCCCC1)C(=O)CCNCCc1ccc(Cl)c(Cl)c1)c1ccc(O)c2NC(=O)COc12 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113880
BindingDB Entry DOI: 10.7270/Q2B56PS9 |
More data for this
Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50181508
(CHEMBL3818083 | US10023539, Example 4.2)Show SMILES CCN(C1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |c:6| Show InChI InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113880
BindingDB Entry DOI: 10.7270/Q2B56PS9 |
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
NCI pathway
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 | 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-dependent kinase 9
(Homo sapiens (Human)) | BDBM50358213
(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 in human HT29 cells assessed as reduction in RNA polymerase 2 expression |
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-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50358213
(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of CDK9/cyclin T1 |
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 | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50396022
(CHEMBL2169920)Show SMILES Oc1ccc(CCNCCN(C2CCCCC2)C(=O)CCNCCc2ccc(Cl)c(Cl)c2)c2OCC(=O)Nc12 Show InChI InChI=1S/C29H38Cl2N4O4/c30-23-8-6-20(18-24(23)31)10-13-32-15-12-27(38)35(22-4-2-1-3-5-22)17-16-33-14-11-21-7-9-25(36)28-29(21)39-19-26(37)34-28/h6-9,18,22,32-33,36H,1-5,10-17,19H2,(H,34,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113880
BindingDB Entry DOI: 10.7270/Q2B56PS9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50358211
(CHEMBL1922212 | US8846696, (3S)-3-{9-Isopropyl-6-[...)Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r| Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of CDK9/cyclin T1 |
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)) | BDBM50358220
(CHEMBL455389)Show SMILES CC[C@H](CO)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C18H25N7O/c1-4-14(10-26)22-18-23-16(20-9-13-6-5-7-19-8-13)15-17(24-18)25(11-21-15)12(2)3/h5-8,11-12,14,26H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1 | PDB
MMDB
NCI pathway
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 | 180 | 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-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50358210
(CHEMBL1922123 | US8846696, (3R)-3-{9-Isopropyl-6-[...)Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r| Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of CDK9/cyclin T1 |
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-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50358212
(CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...)Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of CDK9/cyclin T1 |
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)) | BDBM50358225
(CHEMBL1922199)Show SMILES CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)O |r| Show InChI InChI=1S/C20H28N6O/c1-5-16(14(4)27)23-20-24-18(21-11-15-9-7-6-8-10-15)17-19(25-20)26(12-22-17)13(2)3/h6-10,12-14,16,27H,5,11H2,1-4H3,(H2,21,23,24,25)/t14?,16-/m1/s1 | PDB
MMDB
NCI pathway
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 | 390 | 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 | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50599371
(CHEMBL5188628)Show SMILES [#6]-[#6](-[#6])-[#7]1-[#6](=O)-[#6](-[#6]-[#6]-[#8][Si;v4](c2ccccc2)(c2ccccc2)C([#6])([#6])[#6])-[#6]-[#8]C11[#6]=[#6]-[#6](=O)-[#6]=[#6]1 |c:33,37| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 399 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113880
BindingDB Entry DOI: 10.7270/Q2B56PS9 |
More data for this
Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50075102
(CHEMBL3414623)Show SMILES Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12 Show InChI InChI=1S/C36H42N6O/c1-28-27-42(34-11-4-2-9-32(28)34)22-19-40-17-20-41(21-18-40)35-12-5-3-10-33(35)30-23-29(26-37)24-31(25-30)36(43)38-13-8-16-39-14-6-7-15-39/h2-5,9-12,23-25,27H,6-8,13-22H2,1H3,(H,38,43) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 425 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113880
BindingDB Entry DOI: 10.7270/Q2B56PS9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50358212
(CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...)Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1 | PDB
MMDB
NCI pathway
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 | 500 | 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)) | 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 | 520 | 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)) | BDBM50358215
(CHEMBL1922114)Show SMILES CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-8-6-7-9-20-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13?,15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 550 | 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 | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50599370
(CHEMBL5170181)Show SMILES [#6]-[#6](-[#6])[Si;v4]([#8]-[#6]-[#6]-[#6]-1-[#6]-[#8]C2([#6]=[#6]-[#6](=O)-[#6]=[#6]2)[#7](-[#6])-[#6]-1=O)([#6](-[#6])-[#6])[#6](-[#6])-[#6] |c:11,15| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 678 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113880
BindingDB Entry DOI: 10.7270/Q2B56PS9 |
More data for this
Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50599373
(CHEMBL5172262)Show SMILES [#6]-[#7]1-[#6](=O)-[#6](-[#6]-[#6]-[#8][Si;v4](c2ccccc2)(c2ccccc2)C([#6])([#6])[#6])-[#6]-[#8]C11[#6]=[#6]-[#6](=O)-[#6]=[#6]1 |c:31,35| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 679 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113880
BindingDB Entry DOI: 10.7270/Q2B56PS9 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50358238
(CHEMBL1922213)Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)O |r| Show InChI InChI=1S/C20H28N6O/c1-5-16(14(4)27)23-20-24-18(21-11-15-9-7-6-8-10-15)17-19(25-20)26(12-22-17)13(2)3/h6-10,12-14,16,27H,5,11H2,1-4H3,(H2,21,23,24,25)/t14?,16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 690 | 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)) | BDBM50358224
(CHEMBL455641)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccncc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C18H25N7O/c1-4-14(10-26)22-18-23-16(20-9-13-5-7-19-8-6-13)15-17(24-18)25(11-21-15)12(2)3/h5-8,11-12,14,26H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1 | PDB
MMDB
NCI pathway
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 | 740 | 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)) | BDBM50358239
(CHEMBL1922214)Show SMILES CCC(O)[C@H](CC)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C21H30N6O/c1-5-16(17(28)6-2)24-21-25-19(22-12-15-10-8-7-9-11-15)18-20(26-21)27(13-23-18)14(3)4/h7-11,13-14,16-17,28H,5-6,12H2,1-4H3,(H2,22,24,25,26)/t16-,17?/m0/s1 | PDB
MMDB
NCI pathway
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 | 1.10E+3 | 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)) | BDBM50358221
(CHEMBL1922120 | US8846696, (3RS,4R)-4-{9-Isopropyl...)Show SMILES CCC(O)[C@@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-8-7-9-21-10-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m1/s1 | PDB
MMDB
NCI pathway
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 | 1.10E+3 | 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)) | BDBM50358226
(CHEMBL1922200)Show SMILES CCC(O)[C@@H](CC)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C21H30N6O/c1-5-16(17(28)6-2)24-21-25-19(22-12-15-10-8-7-9-11-15)18-20(26-21)27(13-23-18)14(3)4/h7-11,13-14,16-17,28H,5-6,12H2,1-4H3,(H2,22,24,25,26)/t16-,17?/m1/s1 | PDB
MMDB
NCI pathway
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 | 1.20E+3 | 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)) | BDBM50358216
(CHEMBL1922115)Show SMILES CCC(O)[C@@H](CC)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-9-7-8-10-21-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m1/s1 | PDB
MMDB
NCI pathway
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 | 1.20E+3 | 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)) | BDBM50358213
(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | 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-dependent kinase 7
(Homo sapiens (Human)) | BDBM50358213
(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 in human HT29 cells assessed as reduction in RNA polymerase 2 expression |
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)) | BDBM50358235
(CHEMBL1922209 | US8846696, (3RS,4S)-4-{9-Isopropyl...)Show SMILES CCC(O)[C@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-8-7-9-21-10-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m0/s1 | PDB
MMDB
NCI pathway
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 | 1.50E+3 | 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 | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50599375
(CHEMBL5181874)Show SMILES O=C1C=CC2(OCC(Cc3cn(nn3)-c3cccc(Cc4ccccc4)c3)C(=O)N2c2ccccc2)C=C1 |c:2,41| | 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 | 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113880
BindingDB Entry DOI: 10.7270/Q2B56PS9 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50358223
(CHEMBL1922122 | US8846696, (3RS,4R)-4-{9-Isopropyl...)Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r| Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-9-8-10-23-11-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m1/s1 | PDB
MMDB
NCI pathway
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 | 1.60E+3 | 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)) | BDBM50358242
(CHEMBL1922217)Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r| Show InChI InChI=1S/C21H30N6O/c1-6-16(21(4,5)28)24-20-25-18(22-12-15-10-8-7-9-11-15)17-19(26-20)27(13-23-17)14(2)3/h7-11,13-14,16,28H,6,12H2,1-5H3,(H2,22,24,25,26)/t16-/m0/s1 | PDB
MMDB
NCI pathway
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 | 2.00E+3 | 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 | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50599360
(CHEMBL5184091)Show SMILES CN1C(=O)C(CCNc2cc(cc(c2)C(F)(F)F)C(F)(F)F)COC11C=CC(=O)C=C1 |c:27,31| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113880
BindingDB Entry DOI: 10.7270/Q2B56PS9 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50358222
(CHEMBL1922121 | US8846696, (3RS,4R)-4-{9-Isopropyl...)Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r| Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-8-7-9-22-10-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m1/s1 | PDB
MMDB
NCI pathway
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 | 2.20E+3 | 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-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50358213
(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B |
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 | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50599363
(CHEMBL5207034)Show SMILES CN1C(=O)C(CCNc2ccc(cc2)-c2cccs2)COC11C=CC(=O)C=C1 |c:25,29| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113880
BindingDB Entry DOI: 10.7270/Q2B56PS9 |
More data for this
Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50599353
(CHEMBL5190397)Show SMILES CC(C)N1C(=O)C(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)COC11C=CC(=O)C=C1 |c:27,31| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113880
BindingDB Entry DOI: 10.7270/Q2B56PS9 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50358218
(CHEMBL1922117)Show SMILES CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r| Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-10-8-9-11-23-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m1/s1 | PDB
MMDB
NCI pathway
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 | 2.40E+3 | 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)) | BDBM50358211
(CHEMBL1922212 | US8846696, (3S)-3-{9-Isopropyl-6-[...)Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r| Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m0/s1 | PDB
MMDB
NCI pathway
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 | 2.50E+3 | 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)) | BDBM50358230
(CHEMBL1922204)Show SMILES CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-8-6-7-9-20-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13?,15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | 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)) | BDBM50358231
(CHEMBL1922205)Show SMILES CCC(O)[C@H](CC)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-9-7-8-10-21-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m0/s1 | PDB
MMDB
NCI pathway
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 | 2.60E+3 | 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)) | BDBM50358240
(CHEMBL1922215)Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r| Show InChI InChI=1S/C22H32N6O/c1-6-17(19(29)14(2)3)25-22-26-20(23-12-16-10-8-7-9-11-16)18-21(27-22)28(13-24-18)15(4)5/h7-11,13-15,17,19,29H,6,12H2,1-5H3,(H2,23,25,26,27)/t17-,19?/m0/s1 | PDB
MMDB
NCI pathway
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 | 3.00E+3 | 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 | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50599367
(CHEMBL5191647)Show SMILES CN1C(=O)C(C\C=N\n2c3ccccc3c3ccccc23)COC11C=CC(=O)C=C1 |c:28,32| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113880
BindingDB Entry DOI: 10.7270/Q2B56PS9 |
More data for this
Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50599375
(CHEMBL5181874)Show SMILES O=C1C=CC2(OCC(Cc3cn(nn3)-c3cccc(Cc4ccccc4)c3)C(=O)N2c2ccccc2)C=C1 |c:2,41| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113880
BindingDB Entry DOI: 10.7270/Q2B56PS9 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50358210
(CHEMBL1922123 | US8846696, (3R)-3-{9-Isopropyl-6-[...)Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r| Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m1/s1 | PDB
MMDB
NCI pathway
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 | 3.10E+3 | 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)) | BDBM50358232
(CHEMBL1922206)Show SMILES CC[C@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r| Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-9-7-8-10-22-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m0/s1 | PDB
MMDB
NCI pathway
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 | 3.30E+3 | 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)) | BDBM50358236
(CHEMBL1922210 | US8846696, (3RS,4S)-4-{9-Isopropyl...)Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r| Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-8-7-9-22-10-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m0/s1 | PDB
MMDB
NCI pathway
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 | 3.50E+3 | 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)) | BDBM50358237
(CHEMBL1922211 | US8846696, (3RS,4S)-4-{9-Isopropyl...)Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r| Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-9-8-10-23-11-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m0/s1 | PDB
MMDB
NCI pathway
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 | 3.50E+3 | 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)) | BDBM50358229
(CHEMBL1922203)Show SMILES CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r| Show InChI InChI=1S/C21H30N6O/c1-6-16(21(4,5)28)24-20-25-18(22-12-15-10-8-7-9-11-15)17-19(26-20)27(13-23-17)14(2)3/h7-11,13-14,16,28H,6,12H2,1-5H3,(H2,22,24,25,26)/t16-/m1/s1 | PDB
MMDB
NCI pathway
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 | 3.70E+3 | 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)) | BDBM50358228
(CHEMBL1922202)Show SMILES CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r| Show InChI InChI=1S/C23H34N6O/c1-7-17(19(30)23(4,5)6)26-22-27-20(24-13-16-11-9-8-10-12-16)18-21(28-22)29(14-25-18)15(2)3/h8-12,14-15,17,19,30H,7,13H2,1-6H3,(H2,24,26,27,28)/t17-,19?/m1/s1 | PDB
MMDB
NCI pathway
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 | 3.70E+3 | 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 | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50599359
(CHEMBL5198917)Show SMILES CN1C(=O)C(CCNc2ccc(Cl)c(Cl)c2)COC11C=CC(=O)C=C1 |c:21,25| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113880
BindingDB Entry DOI: 10.7270/Q2B56PS9 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50358217
(CHEMBL1922116)Show SMILES CC[C@@H](Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r| Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-9-7-8-10-22-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m1/s1 | PDB
MMDB
NCI pathway
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 | 3.90E+3 | 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 | |
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