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SMILES: CC(C)Oc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1

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 5 hits for monomerid = 50585777   
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 5 activator 1


(Homo sapiens (Human))
BDBM50585777
PNG
(CHEMBL5083778)
Show SMILES CC(C)Oc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system usi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50585777
PNG
(CHEMBL5083778)
Show SMILES CC(C)Oc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 98n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST tagged human CDK2(1 to 298 residues)/CyclinA2 (1 to 432 residues) expressed in baculovirus expression system...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50585777
PNG
(CHEMBL5083778)
Show SMILES CC(C)Oc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 450n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK9(1 to 372 residues)/ His- tagged CyclinT1 (1 to 726 residues) expressed in baculovirus expre...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50585777
PNG
(CHEMBL5083778)
Show SMILES CC(C)Oc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 362n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK7 (1 to 346 residues)/CyclinH (1 to 323 residues)/ MAT1 (1 to 309 residues) expressed in bacu...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM50585777
PNG
(CHEMBL5083778)
Show SMILES CC(C)Oc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 270n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST fused human CDK6 (1 to 326 residues)/CyclinD3 (1 to 292 residues) expressed in baculovirus expression system...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02069
BindingDB Entry DOI: 10.7270/Q2CF9V08
More data for this
Ligand-Target Pair