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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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Ki
IC50
Kd
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null
SMILES:
CC[C@@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@H](C)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
4
hits for monomerid = 50593923
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
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse))
BDBM50593923
(CHEMBL5195030)
Show SMILES
CC[C@@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@H](C)O |r|
Show InChI
MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta
(Mus musculus (mouse))
BDBM50593923
(CHEMBL5195030)
Show SMILES
CC[C@@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@H](C)O |r|
Show InChI
MMDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
578
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2
(Homo sapiens (Human))
BDBM50593923
(CHEMBL5195030)
Show SMILES
CC[C@@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@H](C)O |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02064
BindingDB Entry DOI:
10.7270/Q2SB49QV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4
(Homo sapiens (Human))
BDBM50593923
(CHEMBL5195030)
Show SMILES
CC[C@@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@H](C)O |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
26
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02064
BindingDB Entry DOI:
10.7270/Q2SB49QV
More data for this
Ligand-Target Pair
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