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Target
Sequence
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IC50
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EC50
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ΔH°
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null
SMILES:
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-n3ccnc3)nc(SCCN)nc12
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 = 50597419
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human))
BDBM50597419
(CHEMBL5182767)
Show SMILES
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-n3ccnc3)nc(SCCN)nc12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02184
BindingDB Entry DOI:
10.7270/Q26114CS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-D1
(Homo sapiens (Human))
BDBM50597419
(CHEMBL5182767)
Show SMILES
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-n3ccnc3)nc(SCCN)nc12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02184
BindingDB Entry DOI:
10.7270/Q26114CS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 13/Cyclin-K
(Homo sapiens (Human))
BDBM50597419
(CHEMBL5182767)
Show SMILES
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-n3ccnc3)nc(SCCN)nc12
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
67
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02184
BindingDB Entry DOI:
10.7270/Q26114CS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 12
(Homo sapiens)
BDBM50597419
(CHEMBL5182767)
Show SMILES
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-n3ccnc3)nc(SCCN)nc12
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
73
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02184
BindingDB Entry DOI:
10.7270/Q26114CS
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human))
BDBM50597419
(CHEMBL5182767)
Show SMILES
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-n3ccnc3)nc(SCCN)nc12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
11
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02184
BindingDB Entry DOI:
10.7270/Q26114CS
More data for this
Ligand-Target Pair
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