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SMILES: C[C@@H]1[C@H](O)CC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 370314   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370314
PNG
(BDBM467209 | US10233188, Example 201)
Show SMILES C[C@@H]1[C@H](O)CC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
UniChem
0.120n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370314
PNG
(BDBM467209 | US10233188, Example 201)
Show SMILES C[C@@H]1[C@H](O)CC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
PubMed
0.120n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00017
BindingDB Entry DOI: 10.7270/Q2GF0Z4T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370314
PNG
(BDBM467209 | US10233188, Example 201)
Show SMILES C[C@@H]1[C@H](O)CC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
0.120n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370314
PNG
(BDBM467209 | US10233188, Example 201)
Show SMILES C[C@@H]1[C@H](O)CC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
0.120n/an/an/an/an/an/an/an/a



CNRS



Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM370314
PNG
(BDBM467209 | US10233188, Example 201)
Show SMILES C[C@@H]1[C@H](O)CC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
PubMed
0.850n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00017
BindingDB Entry DOI: 10.7270/Q2GF0Z4T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))
BDBM370314
PNG
(BDBM467209 | US10233188, Example 201)
Show SMILES C[C@@H]1[C@H](O)CC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
0.850n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1


(Homo sapiens (Human)-Mus musculus (mouse))
BDBM370314
PNG
(BDBM467209 | US10233188, Example 201)
Show SMILES C[C@@H]1[C@H](O)CC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
0.850n/an/an/an/an/an/an/an/a



CNRS



Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1


(Homo sapiens (Human)-Mus musculus (mouse))
BDBM370314
PNG
(BDBM467209 | US10233188, Example 201)
Show SMILES C[C@@H]1[C@H](O)CC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
0.850n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair