Found 123 hits Enz. Inhib. hit(s) with all data for entry = 50012045 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-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50553486
(CHEMBL4782409)Show SMILES CN1CC[C@H]([C@@H]1CO)c1c(OP(O)(O)=O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human CDK9 (M1 to F372 residues)/cyclin-T1 (M1 to K726 residues) expressed in bacul... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50553486
(CHEMBL4782409)Show SMILES CN1CC[C@H]([C@@H]1CO)c1c(OP(O)(O)=O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human CDK6 (M1 to A326 residues)/cyclin D1 (Q4 to I295 residues) expressed in bacul... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50553486
(CHEMBL4782409)Show SMILES CN1CC[C@H]([C@@H]1CO)c1c(OP(O)(O)=O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human CDK4 (S4 to E303 residues)/cyclin D1 (Q4 to I295 residues) expressed in bacul... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50553495
(CHEMBL4786559)Show SMILES COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(4.26,-18.37,;5.59,-17.61,;6.92,-18.38,;8.26,-17.62,;8.26,-16.08,;9.59,-18.39,;10.93,-17.63,;12.26,-18.4,;13.6,-17.63,;13.59,-16.1,;12.26,-15.32,;10.93,-16.09,;14.93,-15.33,;16.26,-16.1,;17.59,-15.33,;18.93,-16.09,;18.93,-17.64,;20.27,-18.41,;17.59,-18.42,;16.26,-17.65,;20.25,-15.32,;20.24,-13.79,;21.57,-13.01,;22.91,-13.77,;22.92,-15.32,;24.25,-16.08,;25.59,-15.31,;26.92,-16.07,;25.58,-16.83,;25.57,-18.36,;26.9,-19.14,;28.24,-18.38,;28.25,-16.84,;28.25,-15.3,;29.58,-14.52,;21.59,-16.09,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of Alexa Fluor 647 ADP Tracer from His-tagged human CDK9/Cyclin T1 expressed in baculovirus expression system incubated for 1 hr by adap... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM50139171
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK5 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50553494
(CHEMBL4764625)Show SMILES Cc1cc(CS(C)(=O)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)c3ccoc23)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of His-tagged human CDK9/cyclin T1 expressed in insect cells using biotin Ttds-YISPLKSPYKISEG as substrate preincubated for 15 mins follow... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50139171
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK2 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM167699
(US9073922, 186 | US9796708, Example 186)Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:21| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-labeled substrate by TR-FRET LANCE method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50363196
(CHEMBL1944698)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3| Show InChI InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CDK9 |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50553492
(CHEMBL4743292)Show SMILES CS(=N)(=N)Cc1cc2Nc3ncc(F)c(n3)-c3ccc(F)cc3OCCCCOc(c1)c2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of His-tagged human CDK9/cyclin T1 expressed in insect cells using biotin Ttds-YISPLKSPYKISEG as substrate preincubated for 15 mins follow... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM354126
(US9796708, Example 1358 | trans-4-{4-[5-fluoro-4-(...)Show SMILES COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK9 (unknown origin) using Ulight-labeled substrate by TR-FRET LANCE method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50553497
(CHEMBL4753804)Show SMILES Clc1cnc(NC(=O)[C@H]2CNCCO2)cc1-c1cc(NCC2CCOCC2)cnc1Cl |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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
| Assay Description
Inhibition of His-tagged human CDK9/cyclin T1 expressed in insect cells using biotinylated-cdk7tide peptide incubated for 5 hrs by Alpha Screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM5655
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK9 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50528817
(CHEMBL4462530 | US10717746, Example 14 | US2023041...)Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r| Show InChI InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of full length human CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculovirus expression system in presen... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50553483
(CHEMBL4756595 | US20230416221, Compound BAY1251152)Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=N)=O)ccn2)ncc1F | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
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
| Assay Description
Inhibition of CDK9 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50139171
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
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
| Assay Description
Inhibition of CDK1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50553493
(CHEMBL4752000)Show SMILES CS(=N)(=N)Cc1cc2Nc3ncc(F)c(n3)-c3cccc(F)c3OCCCCOc(c1)c2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of His-tagged human CDK9/cyclin T1 expressed in insect cells using biotin Ttds-YISPLKSPYKISEG as substrate preincubated for 15 mins follow... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM50363196
(CHEMBL1944698)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3| Show InChI InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CDK5 |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50528817
(CHEMBL4462530 | US10717746, Example 14 | US2023041...)Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r| Show InChI InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of full length human CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculovirus expression system in presen... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 2
(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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK2 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-T1/Cyclin-dependent kinase 9
(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
MMDB
Reactome pathway
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| Article
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CDK9 (2 to 372 residues)/cyclin T1 (2 to 726 residues) expressed in baculovirus-infected Sf9 insect cell expression system |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50139171
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK9 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50553484
(CHEMBL4761602)Show SMILES Nc1nc(C[C@H]2CC3CCC2C3)sc1C(=O)c1ccccc1[N+]([O-])=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK9 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50553479
(CHEMBL4755256)Show SMILES COc1cc(F)ccc1-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK9 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(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
MMDB
Reactome pathway
KEGG
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PC cid
PC sid
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UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK9 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50553480
(CHEMBL4741442)Show SMILES C[C@H](CO)Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1Br |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| 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 |
TBA
| Assay Description
Inhibition of CDK9 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50553481
(CHEMBL4764173)Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK2 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50363196
(CHEMBL1944698)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3| Show InChI InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+ | PDB
MMDB
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Reactome pathway
KEGG
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CDK2 |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM168383
(US9669034, 2 (rac)-4-(4-Fluoro-2-methoxyphenyl)-N-...)Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1 Show InChI InChI=1S/C18H18FN5O2S/c1-26-16-9-13(19)6-7-15(16)17-21-11-22-18(24-17)23-14-5-3-4-12(8-14)10-27(2,20)25/h3-9,11,20H,10H2,1-2H3,(H,21,22,23,24) | PDB
MMDB
Reactome pathway
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of C-terminal His6-tagged human CDK9/cyclin-T1 expressed in baculovirus infected Sf21 insect cells |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(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
Reactome pathway
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PC sid
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UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 3/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50363196
(CHEMBL1944698)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3| Show InChI InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+ | PDB
UniProtKB/SwissProt
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antibodypedia
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MCE
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| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of C-terminal His6-tagged human CDK3/N-terminal GST-tagged human cyclin E |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50553498
(CHEMBL4782011)Show SMILES Fc1cccc(CNc2cccc(n2)-c2cc(NC(=O)[C@H]3CNCCO3)ncc2Cl)c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of His-tagged human CDK9/cyclin T1 expressed in insect cells using biotinylated-cdk7tide peptide incubated for 5 hrs by Alpha Screen assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(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
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
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PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK2 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50363196
(CHEMBL1944698)Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3| Show InChI InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+ | PDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CDK1 |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50113281
(AT-7519)Show SMILES Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1 Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24) | PDB
MMDB
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PC sid
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| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK9 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM5655
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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UniChem
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Similars
| DrugBank
Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK7 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK5 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50553488
(CHEMBL4743691)Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(N)(=O)=O)c2)n1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of His-tagged human CDK9/cyclin T1 expressed in insect cells using biotin Ttds-YISPLKSPYKISEG as substrate preincubated for 15 mins follow... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(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
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK4 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50553486
(CHEMBL4782409)Show SMILES CN1CC[C@H]([C@@H]1CO)c1c(OP(O)(O)=O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human CDK8 (M1 to Y463 residues)/cyclin D3 (M1 to S283 residues) expressed in bacul... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50553496
(CHEMBL4788036) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CDK9 (1 to 372 residues)/N-terminal GST-fused His-tagged CyclinT1 (1 to 726 residues) expressed in baculovirus expression system ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM50113281
(AT-7519)Show SMILES Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1 Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
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| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK5 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50553485
(CHEMBL4790952)Show SMILES CN1CC[C@H]([C@@H]1CO)c1c(OP(O)(O)=O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK9/cyclin-T1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM50553481
(CHEMBL4764173)Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK5 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50553489
(CHEMBL4742789)Show SMILES COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=O)=O)c2)n1 | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of His-tagged human CDK9/cyclin T1 expressed in insect cells using biotin Ttds-YISPLKSPYKISEG as substrate preincubated for 15 mins follow... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50553486
(CHEMBL4782409)Show SMILES CN1CC[C@H]([C@@H]1CO)c1c(OP(O)(O)=O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human CDK1 (M1 to M297 residues)/cyclin B1 (M1 to V433 residues) expressed in bacul... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
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
MMDB
NCI pathway
Reactome pathway
KEGG
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PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK7 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50553481
(CHEMBL4764173)Show SMILES CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@@H](C)O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK9 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM167699
(US9073922, 186 | US9796708, Example 186)Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:21| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK9 in human A-431 cells assessed as reduction in RNA polymerase2 phosphorylation at ser2 residue incubated for 4 hrs by In-cell Weste... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM5655
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 | PDB
Reactome pathway
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CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
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| DrugBank
Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3 |
More data for this
Ligand-Target Pair | |
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