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SMILES: CN1CC[C@H]([C@@H]1CO)c1c(OP(O)(O)=O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F

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 9 hits for monomerid = 50553486   
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-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50553486
PNG
(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

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/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
PNG
(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
2.90n/an/an/an/an/an/an/an/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
PNG
(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
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PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/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-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM50553486
PNG
(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

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human CDK6 (M1 to A326 residues)/cyclin D3 (M1 to L292 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-C


(Homo sapiens (Human))
BDBM50553486
PNG
(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/an/a 12n/an/an/an/an/an/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-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM50553486
PNG
(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

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/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-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50553486
PNG
(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|
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PC sid
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Article
PubMed
n/an/a 180n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human CDK2 (M1 to L298 residues)/cyclin A2 (M1 to L432 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/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50553486
PNG
(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/an/a 25n/an/an/an/an/an/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 5 activator 1


(Homo sapiens (Human))
BDBM50553486
PNG
(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
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UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His6-tagged thrombin cleavage site-fused human CDK5 (M1 to P292 residues)/p35 (M1 to R307 residues) expressed in baculovirus...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00744
BindingDB Entry DOI: 10.7270/Q2FB56K3
More data for this
Ligand-Target Pair