Found 12 hits of Enzyme Inhibition Constant Data 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 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50420304
(CHEMBL2089065 | US8598217, 165)Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C30H27N7O/c1-36(2)22-11-13-37(14-12-22)27-10-9-26-29(34-27)35-30(33-26)28(38)19-7-8-20(16-31)24(15-19)25-18-32-17-21-5-3-4-6-23(21)25/h3-10,15,17-18,22H,11-14H2,1-2H3,(H,33,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human CDK6/cyclin D3 assessed as inhibition of pRb Ser780 phosphorylation after 120 mins by TR-FRET assay |
ACS Med Chem Lett 3: 445-449 (2012)
Article DOI: 10.1021/ml200241a
BindingDB Entry DOI: 10.7270/Q2P270DJ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM107751
(CHEMBL2089063 | US8598217, 89)Show SMILES CN(C)C1CCN(CC1)c1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C29H28N6O/c1-34(2)21-10-13-35(14-11-21)22-7-8-25-27(16-22)33-29(32-25)28(36)19-9-12-31-26(15-19)24-18-30-17-20-5-3-4-6-23(20)24/h3-9,12,15-18,21H,10-11,13-14H2,1-2H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human CDK6/cyclin D3 assessed as inhibition of pRb Ser780 phosphorylation after 120 mins by TR-FRET assay |
ACS Med Chem Lett 3: 445-449 (2012)
Article DOI: 10.1021/ml200241a
BindingDB Entry DOI: 10.7270/Q2P270DJ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50420305
(CHEMBL2089057 | US8598217, 173)Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1c(C)nn(C)c1C |(10.17,-39.75,;9.4,-38.41,;10.17,-37.08,;7.86,-38.41,;7.09,-39.74,;5.55,-39.75,;4.79,-38.41,;5.54,-37.08,;7.09,-37.08,;3.25,-38.42,;2.47,-37.08,;.94,-37.09,;.18,-38.42,;-1.32,-38.74,;-1.49,-40.28,;-.07,-40.9,;.95,-39.75,;2.48,-39.75,;-2.82,-41.05,;-2.82,-42.59,;-4.15,-40.28,;-5.49,-41.06,;-6.83,-40.29,;-6.82,-38.74,;-8.16,-37.97,;-9.5,-37.2,;-5.49,-37.97,;-4.16,-38.73,;-5.51,-36.43,;-6.76,-35.53,;-8.22,-36.01,;-6.29,-34.06,;-4.75,-34.06,;-3.85,-32.81,;-4.27,-35.52,;-2.8,-35.99,)| Show InChI InChI=1S/C27H30N8O/c1-16-24(17(2)34(5)32-16)21-14-18(6-7-19(21)15-28)25(36)27-29-22-8-9-23(30-26(22)31-27)35-12-10-20(11-13-35)33(3)4/h6-9,14,20H,10-13H2,1-5H3,(H,29,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human CDK6/cyclin D3 assessed as inhibition of pRb Ser780 phosphorylation after 120 mins by TR-FRET assay |
ACS Med Chem Lett 3: 445-449 (2012)
Article DOI: 10.1021/ml200241a
BindingDB Entry DOI: 10.7270/Q2P270DJ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50420303
(CHEMBL2089064 | US8598217, 135)Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccnc(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C28H27N7O/c1-34(2)20-10-13-35(14-11-20)25-8-7-23-27(32-25)33-28(31-23)26(36)18-9-12-30-24(15-18)22-17-29-16-19-5-3-4-6-21(19)22/h3-9,12,15-17,20H,10-11,13-14H2,1-2H3,(H,31,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human CDK6/cyclin D3 assessed as inhibition of pRb Ser780 phosphorylation after 120 mins by TR-FRET assay |
ACS Med Chem Lett 3: 445-449 (2012)
Article DOI: 10.1021/ml200241a
BindingDB Entry DOI: 10.7270/Q2P270DJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50420307
(CHEMBL2089062)Show SMILES CN(C)C1CCN(CC1)c1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1cccnc1 Show InChI InChI=1S/C25H26N6O/c1-30(2)19-8-12-31(13-9-19)20-5-6-21-23(15-20)29-25(28-21)24(32)17-7-11-27-22(14-17)18-4-3-10-26-16-18/h3-7,10-11,14-16,19H,8-9,12-13H2,1-2H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human CDK6/cyclin D3 assessed as inhibition of pRb Ser780 phosphorylation after 30 mins by ELISA |
ACS Med Chem Lett 3: 445-449 (2012)
Article DOI: 10.1021/ml200241a
BindingDB Entry DOI: 10.7270/Q2P270DJ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM107751
(CHEMBL2089063 | US8598217, 89)Show SMILES CN(C)C1CCN(CC1)c1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C29H28N6O/c1-34(2)21-10-13-35(14-11-21)22-7-8-25-27(16-22)33-29(32-25)28(36)19-9-12-31-26(15-19)24-18-30-17-20-5-3-4-6-23(20)24/h3-9,12,15-18,21H,10-11,13-14H2,1-2H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human CDK1/cyclin B assessed as inhibition of Tamra-H1 phosphorylation by IMAP-FP assay |
ACS Med Chem Lett 3: 445-449 (2012)
Article DOI: 10.1021/ml200241a
BindingDB Entry DOI: 10.7270/Q2P270DJ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50420304
(CHEMBL2089065 | US8598217, 165)Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C30H27N7O/c1-36(2)22-11-13-37(14-12-22)27-10-9-26-29(34-27)35-30(33-26)28(38)19-7-8-20(16-31)24(15-19)25-18-32-17-21-5-3-4-6-23(21)25/h3-10,15,17-18,22H,11-14H2,1-2H3,(H,33,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human CDK1/cyclin B assessed as inhibition of Tamra-H1 phosphorylation by IMAP-FP assay |
ACS Med Chem Lett 3: 445-449 (2012)
Article DOI: 10.1021/ml200241a
BindingDB Entry DOI: 10.7270/Q2P270DJ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human)) | BDBM50420306
(CHEMBL2089060)Show InChI InChI=1S/C12H9N3O/c16-11(10-6-3-7-13-10)12-14-8-4-1-2-5-9(8)15-12/h1-7,13H,(H,14,15) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human CDK6/cyclin D3 assessed as inhibition of pRb Ser780 phosphorylation after 30 mins by ELISA |
ACS Med Chem Lett 3: 445-449 (2012)
Article DOI: 10.1021/ml200241a
BindingDB Entry DOI: 10.7270/Q2P270DJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50420307
(CHEMBL2089062)Show SMILES CN(C)C1CCN(CC1)c1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1cccnc1 Show InChI InChI=1S/C25H26N6O/c1-30(2)19-8-12-31(13-9-19)20-5-6-21-23(15-20)29-25(28-21)24(32)17-7-11-27-22(14-17)18-4-3-10-26-16-18/h3-7,10-11,14-16,19H,8-9,12-13H2,1-2H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human CDK1/cyclin B assessed as inhibition of Tamra-H1 phosphorylation by IMAP-FP assay |
ACS Med Chem Lett 3: 445-449 (2012)
Article DOI: 10.1021/ml200241a
BindingDB Entry DOI: 10.7270/Q2P270DJ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50420305
(CHEMBL2089057 | US8598217, 173)Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1c(C)nn(C)c1C |(10.17,-39.75,;9.4,-38.41,;10.17,-37.08,;7.86,-38.41,;7.09,-39.74,;5.55,-39.75,;4.79,-38.41,;5.54,-37.08,;7.09,-37.08,;3.25,-38.42,;2.47,-37.08,;.94,-37.09,;.18,-38.42,;-1.32,-38.74,;-1.49,-40.28,;-.07,-40.9,;.95,-39.75,;2.48,-39.75,;-2.82,-41.05,;-2.82,-42.59,;-4.15,-40.28,;-5.49,-41.06,;-6.83,-40.29,;-6.82,-38.74,;-8.16,-37.97,;-9.5,-37.2,;-5.49,-37.97,;-4.16,-38.73,;-5.51,-36.43,;-6.76,-35.53,;-8.22,-36.01,;-6.29,-34.06,;-4.75,-34.06,;-3.85,-32.81,;-4.27,-35.52,;-2.8,-35.99,)| Show InChI InChI=1S/C27H30N8O/c1-16-24(17(2)34(5)32-16)21-14-18(6-7-19(21)15-28)25(36)27-29-22-8-9-23(30-26(22)31-27)35-12-10-20(11-13-35)33(3)4/h6-9,14,20H,10-13H2,1-5H3,(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human CDK1/cyclin B assessed as inhibition of Tamra-H1 phosphorylation by IMAP-FP assay |
ACS Med Chem Lett 3: 445-449 (2012)
Article DOI: 10.1021/ml200241a
BindingDB Entry DOI: 10.7270/Q2P270DJ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50420308
(CHEMBL2089066)Show SMILES CN(C)C1CCN(CC1)c1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1c(C)nn(C)c1C Show InChI InChI=1S/C26H31N7O/c1-16-24(17(2)32(5)30-16)23-14-18(8-11-27-23)25(34)26-28-21-7-6-20(15-22(21)29-26)33-12-9-19(10-13-33)31(3)4/h6-8,11,14-15,19H,9-10,12-13H2,1-5H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human CDK1/cyclin B assessed as inhibition of Tamra-H1 phosphorylation by IMAP-FP assay |
ACS Med Chem Lett 3: 445-449 (2012)
Article DOI: 10.1021/ml200241a
BindingDB Entry DOI: 10.7270/Q2P270DJ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50420303
(CHEMBL2089064 | US8598217, 135)Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccnc(c1)-c1cncc2ccccc12 Show InChI InChI=1S/C28H27N7O/c1-34(2)20-10-13-35(14-11-20)25-8-7-23-27(32-25)33-28(31-23)26(36)18-9-12-30-24(15-18)22-17-29-16-19-5-3-4-6-21(19)22/h3-9,12,15-17,20H,10-11,13-14H2,1-2H3,(H,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human CDK1/cyclin B assessed as inhibition of Tamra-H1 phosphorylation by IMAP-FP assay |
ACS Med Chem Lett 3: 445-449 (2012)
Article DOI: 10.1021/ml200241a
BindingDB Entry DOI: 10.7270/Q2P270DJ |
More data for this
Ligand-Target Pair | |
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