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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:
C[C@@H](N)c1cc(Cl)ccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S
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
9
hits for monomerid = 50595667
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
Myeloperoxidase
(Homo sapiens (Human))
BDBM50595667
(CHEMBL5181350)
Show SMILES
C[C@@H](N)c1cc(Cl)ccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.60
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI:
10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Cytochrome P450 2C9
(Homo sapiens (Human))
BDBM50595667
(CHEMBL5181350)
Show SMILES
C[C@@H](N)c1cc(Cl)ccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
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
>3.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI:
10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Myeloperoxidase
(Homo sapiens (Human))
BDBM50595667
(CHEMBL5181350)
Show SMILES
C[C@@H](N)c1cc(Cl)ccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.10E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI:
10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Thyroid peroxidase
(Homo sapiens (Human))
BDBM50595667
(CHEMBL5181350)
Show SMILES
C[C@@H](N)c1cc(Cl)ccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
770
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI:
10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Cytochrome P450 3A4
(Homo sapiens (Human))
BDBM50595667
(CHEMBL5181350)
Show SMILES
C[C@@H](N)c1cc(Cl)ccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
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
8.80E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI:
10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Cytochrome P450 2D6
(Homo sapiens (Human))
BDBM50595667
(CHEMBL5181350)
Show SMILES
C[C@@H](N)c1cc(Cl)ccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
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/acs.jmedchem.1c02141
BindingDB Entry DOI:
10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Cytochrome P450 1A2
(Homo sapiens (Human))
BDBM50595667
(CHEMBL5181350)
Show SMILES
C[C@@H](N)c1cc(Cl)ccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
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
>3.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI:
10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Cytochrome P450 2C19
(Homo sapiens)
BDBM50595667
(CHEMBL5181350)
Show SMILES
C[C@@H](N)c1cc(Cl)ccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |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
>3.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI:
10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50595667
(CHEMBL5181350)
Show SMILES
C[C@@H](N)c1cc(Cl)ccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.30E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI:
10.7270/Q2WD44KM
More data for this
Ligand-Target Pair
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