BindingDB logo
myBDB logout

null

SMILES: CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)C#N)P(C)(C)=O)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 4 hits for monomerid = 50583929   
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))
BDBM50583929
PNG
(SY-5609 | SY5609 | Sy 5609 | Sy-5609)
Show SMILES CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)C#N)P(C)(C)=O)C(F)(F)F |r|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.52E+3n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 12


(Homo sapiens)
BDBM50583929
PNG
(SY-5609 | SY5609 | Sy 5609 | Sy-5609)
Show SMILES CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)C#N)P(C)(C)=O)C(F)(F)F |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK12/cyclin K (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50583929
PNG
(SY-5609 | SY5609 | Sy 5609 | Sy-5609)
Show SMILES CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)C#N)P(C)(C)=O)C(F)(F)F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.92E+3n/an/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using 5-FAM-labeled peptide as substrate in presence of ATP by mobility shift assay


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50583929
PNG
(SY-5609 | SY5609 | Sy 5609 | Sy-5609)
Show SMILES CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)C#N)P(C)(C)=O)C(F)(F)F |r|
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/an/an/a 0.0700n/an/an/an/an/a



Institute of Medicinal Molecular Design, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to full length CDK7 (1 to 346 residues) /N-terminal TEV cleavable 6His tagged full length cyclinH (1 to 323 residues) (unknown origi...


J Med Chem 47: 4818-28 (2004)


Article DOI: 10.1021/acs.jmedchem.1c01171
BindingDB Entry DOI: 10.7270/Q2736VSR
More data for this
Ligand-Target Pair