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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
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null
SMILES:
COC(=O)NC12CCC(CC1)(CC2)n1cc(-c2cc(N)c(Cl)cc2F)c2c(N)ncnc12
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 = 50575353
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
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human))
BDBM50575353
(CHEMBL4859681)
Show SMILES
COC(=O)NC12CCC(CC1)(CC2)n1cc(-c2cc(N)c(Cl)cc2F)c2c(N)ncnc12
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
22
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00450
BindingDB Entry DOI:
10.7270/Q23R0XP8
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human))
BDBM50575353
(CHEMBL4859681)
Show SMILES
COC(=O)NC12CCC(CC1)(CC2)n1cc(-c2cc(N)c(Cl)cc2F)c2c(N)ncnc12
Show InChI
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/a
n/a
800
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00450
BindingDB Entry DOI:
10.7270/Q23R0XP8
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae)
BDBM50575353
(CHEMBL4859681)
Show SMILES
COC(=O)NC12CCC(CC1)(CC2)n1cc(-c2cc(N)c(Cl)cc2F)c2c(N)ncnc12
Show InChI
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
6.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00450
BindingDB Entry DOI:
10.7270/Q23R0XP8
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae)
BDBM50575353
(CHEMBL4859681)
Show SMILES
COC(=O)NC12CCC(CC1)(CC2)n1cc(-c2cc(N)c(Cl)cc2F)c2c(N)ncnc12
Show InChI
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>3.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00450
BindingDB Entry DOI:
10.7270/Q23R0XP8
More data for this
Ligand-Target Pair
Coiled-coil domain-containing protein 6
(Homo sapiens (Human))
BDBM50575353
(CHEMBL4859681)
Show SMILES
COC(=O)NC12CCC(CC1)(CC2)n1cc(-c2cc(N)c(Cl)cc2F)c2c(N)ncnc12
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
51
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00450
BindingDB Entry DOI:
10.7270/Q23R0XP8
More data for this
Ligand-Target Pair
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