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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
IC50
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null
SMILES:
NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
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
6
hits for monomerid = 50575468
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
Leukotriene A-4 hydrolase
(Homo sapiens (Human))
BDBM50575468
(CHEMBL4879150)
Show SMILES
NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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.0c01955
BindingDB Entry DOI:
10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Leukotriene A-4 hydrolase
(Homo sapiens (Human))
BDBM50575468
(CHEMBL4879150)
Show SMILES
NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
129
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI:
10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Cytochrome P450 3A5
(Homo sapiens (Human))
BDBM50575468
(CHEMBL4879150)
Show SMILES
NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>2.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI:
10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Cytochrome P450 2C9
(Homo sapiens (Human))
BDBM50575468
(CHEMBL4879150)
Show SMILES
NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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.0c01955
BindingDB Entry DOI:
10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
Cytochrome P450 2D6
(Homo sapiens (Human))
BDBM50575468
(CHEMBL4879150)
Show SMILES
NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
8.50E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI:
10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae)
BDBM50575468
(CHEMBL4879150)
Show SMILES
NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
8.50E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01955
BindingDB Entry DOI:
10.7270/Q2B85CZG
More data for this
Ligand-Target Pair
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