Found 75 hits Enz. Inhib. hit(s) with all data for entry = 50010508 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 2
(Homo sapiens (Human)) | BDBM50539719
(CHEMBL4644434)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50539722
(CHEMBL4644572)Show SMILES CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(O[C@H]3CCCNC3)nc12 |r| Show InChI InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50526792
(CHEMBL4454044)Show SMILES CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12 Show InChI InChI=1S/C23H33N7O/c1-16(2)19-15-25-30-21(19)26-23(31-18-10-12-29(5)13-11-18)27-22(30)24-14-17-8-6-7-9-20(17)28(3)4/h6-9,15-16,18H,10-14H2,1-5H3,(H,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50539722
(CHEMBL4644572)Show SMILES CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(O[C@H]3CCCNC3)nc12 |r| Show InChI InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected Sf21 insect cells in presence of [gamma33P]ATP |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM101536
(CHEMBL3128043 | US8530494, 203 | US8530652, 114 | ...)Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)[nH]nc2C1(C)C)c1ccccc1 |r| Show InChI InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/cyclin H/MNAT1 (unknown origin) pre incubated up to 60 mins followed by substrate and ATP addition |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50526803
(CHEMBL4434871 | US10870651, Compound 101)Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1 |r| Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/cyclin H/MNAT1 (unknown origin) pre incubated up to 60 mins followed by substrate and ATP addition |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50526795
(CHEMBL4450322)Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)[nH]nc2C1(C)C)c1ccccc1 |r| Show InChI InChI=1S/C28H33N7O3/c1-6-23(36)29-20-14-12-19(13-15-20)26(37)31-25-21-16-35(28(2,3)24(21)32-33-25)27(38)30-22(17-34(4)5)18-10-8-7-9-11-18/h6-15,22H,1,16-17H2,2-5H3,(H,29,36)(H,30,38)(H2,31,32,33,37)/t22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/cyclin H/MNAT1 (unknown origin) pre incubated up to 60 mins followed by substrate and ATP addition |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
CDK-activating kinase assembly factor MAT1/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
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/cyclin H/MNAT1 (unknown origin) pre incubated up to 60 mins followed by substrate and ATP addition |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50539720
(CHEMBL4648392)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cc(C1)cc(NC(=O)c1ccc(NC(=O)C=C)cc1)c3)n2 |t:3| Show InChI InChI=1S/C33H32N6O3/c1-3-31(40)35-26-12-10-24(11-13-26)32(41)36-27-18-23-19-28(21-27)37-33-34-15-14-30(38-33)25-8-7-9-29(20-25)42-17-6-4-5-16-39(2)22-23/h3-5,7-15,18-21H,1,6,16-17,22H2,2H3,(H,35,40)(H,36,41)(H,34,37,38)/b5-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <15 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50539718
(CHEMBL4643708)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@]3(O)CCNC[C@H]3O)nc12 |r| Show InChI InChI=1S/C21H28N6O2/c1-14(2)16-12-24-27-19(23-11-15-6-4-3-5-7-15)10-18(25-20(16)27)26-21(29)8-9-22-13-17(21)28/h3-7,10,12,14,17,22-23,28-29H,8-9,11,13H2,1-2H3,(H,25,26)/t17-,21+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50539709
(CHEMBL4649721)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@H](CO)CCCCCCc3cncnc3)nc12 |r| Show InChI InChI=1S/C28H37N7O/c1-21(2)25-18-32-35-27(31-17-22-10-7-5-8-11-22)14-26(34-28(25)35)33-24(19-36)13-9-4-3-6-12-23-15-29-20-30-16-23/h5,7-8,10-11,14-16,18,20-21,24,31,36H,3-4,6,9,12-13,17,19H2,1-2H3,(H,33,34)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50528814
(CHEMBL4436535)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C30H33ClN8O2/c1-39(2)14-6-11-27(40)35-21-12-13-26(32-16-21)29(41)36-19-7-5-8-20(15-19)37-30-34-18-24(31)28(38-30)23-17-33-25-10-4-3-9-22(23)25/h3-4,6,9-13,16-20,33H,5,7-8,14-15H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+/t19-,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/cyclin H/MNAT1 (unknown origin) pre incubated up to 60 mins followed by substrate and ATP addition |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50539710
(CHEMBL4637408)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@H]3CNC[C@H]3O)nc12 |r| Show InChI InChI=1S/C20H26N6O/c1-13(2)15-10-23-26-19(22-9-14-6-4-3-5-7-14)8-18(25-20(15)26)24-16-11-21-12-17(16)27/h3-8,10,13,16-17,21-22,27H,9,11-12H2,1-2H3,(H,24,25)/t16-,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50539712
(CHEMBL4639779)Show InChI InChI=1S/C23H33FN6/c1-17(2)19-16-28-30-22(27-15-18-10-6-7-11-20(18)24)14-21(29-23(19)30)26-13-9-5-3-4-8-12-25/h6-7,10-11,14,16-17,27H,3-5,8-9,12-13,15,25H2,1-2H3,(H,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50526797
(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50539715
(CHEMBL4635439)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@@H]3C[C@@H](O)CN3)nc12 |r| Show InChI InChI=1S/C21H28N6O/c1-14(2)18-13-25-27-20(24-10-15-6-4-3-5-7-15)9-19(26-21(18)27)23-11-16-8-17(28)12-22-16/h3-7,9,13-14,16-17,22,24,28H,8,10-12H2,1-2H3,(H,23,26)/t16-,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50539714
(CHEMBL4633156)Show SMILES CC(C)c1cnn2c(NCc3ccccc3F)cc(N[C@@H](CO)CCCCCN)nc12 |r| Show InChI InChI=1S/C23H33FN6O/c1-16(2)19-14-27-30-22(26-13-17-8-5-6-10-20(17)24)12-21(29-23(19)30)28-18(15-31)9-4-3-7-11-25/h5-6,8,10,12,14,16,18,26,31H,3-4,7,9,11,13,15,25H2,1-2H3,(H,28,29)/t18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50539707
(CHEMBL4636757)Show SMILES CC[C@H](CO)Nc1cc(NCc2ccccc2)n2ncc(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H27N5O/c1-4-16(13-26)23-18-10-19(21-11-15-8-6-5-7-9-15)25-20(24-18)17(12-22-25)14(2)3/h5-10,12,14,16,21,26H,4,11,13H2,1-3H3,(H,23,24)/t16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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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 |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50528812
(CHEMBL4582951)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@@]1(C)CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C31H35ClN8O2/c1-31(39-29(42)26-13-12-21(17-33-26)36-27(41)11-7-15-40(2)3)14-6-8-20(16-31)37-30-35-19-24(32)28(38-30)23-18-34-25-10-5-4-9-22(23)25/h4-5,7,9-13,17-20,34H,6,8,14-16H2,1-3H3,(H,36,41)(H,39,42)(H,35,37,38)/b11-7+/t20-,31+/m1/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/cyclin H/MNAT1 (unknown origin) pre incubated up to 60 mins followed by substrate and ATP addition |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(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
Reactome pathway
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PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK1 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(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
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| PDB
Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected Sf21 insect cells in presence of [gamma33P]ATP |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50528811
(CHEMBL4441405)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C31H34ClN7O2/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/h3-4,6,9-15,18-19,22-23,33H,5,7-8,16-17H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+/t22-,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/cyclin H/MNAT1 (unknown origin) pre incubated up to 60 mins followed by substrate and ATP addition |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(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
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK5 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50539721
(CHEMBL4635959)Show SMILES CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r| Show InChI InChI=1S/C26H39N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h6-7,15-16,18,20-21,29H,8-14,17H2,1-5H3/b7-6+/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50528813
(CHEMBL4163879)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(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
Reactome pathway
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PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 194 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK8 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 12
(Homo sapiens) | BDBM50528812
(CHEMBL4582951)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@@]1(C)CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C31H35ClN8O2/c1-31(39-29(42)26-13-12-21(17-33-26)36-27(41)11-7-15-40(2)3)14-6-8-20(16-31)37-30-35-19-24(32)28(38-30)23-18-34-25-10-5-4-9-22(23)25/h4-5,7,9-13,17-20,34H,6,8,14-16H2,1-3H3,(H,36,41)(H,39,42)(H,35,37,38)/b11-7+/t20-,31+/m1/s1 | PDB
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| n/a | n/a | 204 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK12 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(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
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antibodypedia
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 222 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
CDK-activating kinase assembly factor MAT1/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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| Article
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| n/a | n/a | 238 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/cyclin H/MNAT1 (unknown origin) pre incubated up to 60 mins followed by substrate and ATP addition |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50539719
(CHEMBL4644434)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@@H](O)CO)nc12 |r| Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50526805
(CHEMBL4519886)Show InChI InChI=1S/C22H30N6/c1-16(2)19-15-26-28-21(25-14-17-6-4-3-5-7-17)12-20(27-22(19)28)24-13-18-8-10-23-11-9-18/h3-7,12,15-16,18,23,25H,8-11,13-14H2,1-2H3,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50539713
(CHEMBL4646646)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)CCCCCN)nc12 |r| Show InChI InChI=1S/C23H34N6O/c1-17(2)20-15-26-29-22(25-14-18-9-5-3-6-10-18)13-21(28-23(20)29)27-19(16-30)11-7-4-8-12-24/h3,5-6,9-10,13,15,17,19,25,30H,4,7-8,11-12,14,16,24H2,1-2H3,(H,27,28)/t19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
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
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CHEMBL
MCE
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PC cid
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PDB
UniChem
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| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50526797
(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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UniChem
| Article
PubMed
| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 13
(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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| Article
PubMed
| n/a | n/a | 628 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK13 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50539711
(CHEMBL4637421)Show InChI InChI=1S/C23H34N6/c1-18(2)20-17-27-29-22(26-16-19-11-7-6-8-12-19)15-21(28-23(20)29)25-14-10-5-3-4-9-13-24/h6-8,11-12,15,17-18,26H,3-5,9-10,13-14,16,24H2,1-2H3,(H,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 654 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50526796
(CHEMBL4472515)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCCC[C@@H]3O)nc12 |r| Show InChI InChI=1S/C23H31N5O/c1-16(2)19-15-26-28-22(25-13-17-8-4-3-5-9-17)12-21(27-23(19)28)24-14-18-10-6-7-11-20(18)29/h3-5,8-9,12,15-16,18,20,25,29H,6-7,10-11,13-14H2,1-2H3,(H,24,27)/t18-,20+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 687 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(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
MMDB
NCI pathway
Reactome pathway
KEGG
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PC cid
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Patents
Similars
| Article
PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 12
(Homo sapiens) | 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
UniProtKB/SwissProt
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CHEMBL
MCE
PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 893 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK12 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50528812
(CHEMBL4582951)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@@]1(C)CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C31H35ClN8O2/c1-31(39-29(42)26-13-12-21(17-33-26)36-27(41)11-7-15-40(2)3)14-6-8-20(16-31)37-30-35-19-24(32)28(38-30)23-18-34-25-10-5-4-9-22(23)25/h4-5,7,9-13,17-20,34H,6,8,14-16H2,1-3H3,(H,36,41)(H,39,42)(H,35,37,38)/b11-7+/t20-,31+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 914 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50539717
(CHEMBL4646538)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H]3CCNC[C@H]3O)nc12 |r| Show InChI InChI=1S/C21H28N6O/c1-14(2)16-12-24-27-20(23-11-15-6-4-3-5-7-15)10-19(26-21(16)27)25-17-8-9-22-13-18(17)28/h3-7,10,12,14,17-18,22-23,28H,8-9,11,13H2,1-2H3,(H,25,26)/t17-,18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50539716
(CHEMBL4632793)Show SMILES CO[C@H]1CN[C@H](CNc2cc(NCc3ccccc3)n3ncc(C(C)C)c3n2)C1 |r| Show InChI InChI=1S/C22H30N6O/c1-15(2)19-14-26-28-21(25-11-16-7-5-4-6-8-16)10-20(27-22(19)28)24-12-17-9-18(29-3)13-23-17/h4-8,10,14-15,17-18,23,25H,9,11-13H2,1-3H3,(H,24,27)/t17-,18+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50539708
(CHEMBL4638833)Show InChI InChI=1S/C22H31FN6/c1-16(2)18-15-27-29-21(26-14-17-9-5-6-10-19(17)23)13-20(28-22(18)29)25-12-8-4-3-7-11-24/h5-6,9-10,13,15-16,26H,3-4,7-8,11-12,14,24H2,1-2H3,(H,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50526803
(CHEMBL4434871 | US10870651, Compound 101)Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1 |r| Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50526797
(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50526795
(CHEMBL4450322)Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(NC(=O)c3ccc(NC(=O)C=C)cc3)[nH]nc2C1(C)C)c1ccccc1 |r| Show InChI InChI=1S/C28H33N7O3/c1-6-23(36)29-20-14-12-19(13-15-20)26(37)31-25-21-16-35(28(2,3)24(21)32-33-25)27(38)30-22(17-34(4)5)18-10-8-7-9-11-18/h6-15,22H,1,16-17H2,2-5H3,(H,29,36)(H,30,38)(H2,31,32,33,37)/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50526797
(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12 Show InChI InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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PC cid
PC sid
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UniChem
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK1 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50528812
(CHEMBL4582951)Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@@]1(C)CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C31H35ClN8O2/c1-31(39-29(42)26-13-12-21(17-33-26)36-27(41)11-7-15-40(2)3)14-6-8-20(16-31)37-30-35-19-24(32)28(38-30)23-18-34-25-10-5-4-9-22(23)25/h4-5,7,9-13,17-20,34H,6,8,14-16H2,1-3H3,(H,36,41)(H,39,42)(H,35,37,38)/b11-7+/t20-,31+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50539721
(CHEMBL4635959)Show SMILES CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r| Show InChI InChI=1S/C26H39N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h6-7,15-16,18,20-21,29H,8-14,17H2,1-5H3/b7-6+/t21-/m0/s1 | 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 | 2.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Lebanese American University
Curated by ChEMBL
| Assay Description
Inhibition of CDK4 (unknown origin) |
J Med Chem 63: 7458-7474 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01985
BindingDB Entry DOI: 10.7270/Q2C82DT8 |
More data for this
Ligand-Target Pair | |
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