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Target
Sequence
Name
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Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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null
SMILES:
CCCc1cc(=O)[nH]c(SCC(=O)c2ccc3NC(=O)CCCc3c2)n1
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 = 50595596
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
Aldo-keto reductase family 1 member C1
(Homo sapiens (Human))
BDBM50595596
(CHEMBL5203670)
Show SMILES
CCCc1cc(=O)[nH]c(SCC(=O)c2ccc3NC(=O)CCCc3c2)n1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
470
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00175
BindingDB Entry DOI:
10.7270/Q2DB85WJ
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4
(Homo sapiens (Human))
BDBM50595596
(CHEMBL5203670)
Show SMILES
CCCc1cc(=O)[nH]c(SCC(=O)c2ccc3NC(=O)CCCc3c2)n1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
360
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00175
BindingDB Entry DOI:
10.7270/Q2DB85WJ
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human))
BDBM50595596
(CHEMBL5203670)
Show SMILES
CCCc1cc(=O)[nH]c(SCC(=O)c2ccc3NC(=O)CCCc3c2)n1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
190
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00175
BindingDB Entry DOI:
10.7270/Q2DB85WJ
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human))
BDBM50595596
(CHEMBL5203670)
Show SMILES
CCCc1cc(=O)[nH]c(SCC(=O)c2ccc3NC(=O)CCCc3c2)n1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
730
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00175
BindingDB Entry DOI:
10.7270/Q2DB85WJ
More data for this
Ligand-Target Pair
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