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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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85%
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Target Names &
Ki
IC50
Kd
EC50
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null
SMILES:
Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1
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
14
hits for monomerid = 50604885
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
Bcl-2-related protein A1
(Homo sapiens (Human))
BDBM50604885
(CHEMBL5177177)
Show SMILES
Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1
Show InChI
PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
410
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114327
BindingDB Entry DOI:
10.7270/Q2NP28GR
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human))
BDBM50604885
(CHEMBL5177177)
Show SMILES
Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1
Show InChI
PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.11E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114327
BindingDB Entry DOI:
10.7270/Q2NP28GR
More data for this
Ligand-Target Pair
Transcriptional enhancer factor TEF-3
(Homo sapiens)
BDBM50604885
(CHEMBL5177177)
Show SMILES
Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114327
BindingDB Entry DOI:
10.7270/Q2NP28GR
More data for this
Ligand-Target Pair
Bcl-2-like protein 1
(Homo sapiens (Human))
BDBM50604885
(CHEMBL5177177)
Show SMILES
Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114327
BindingDB Entry DOI:
10.7270/Q2NP28GR
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2
(Homo sapiens (Human))
BDBM50604885
(CHEMBL5177177)
Show SMILES
Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114327
BindingDB Entry DOI:
10.7270/Q2NP28GR
More data for this
Ligand-Target Pair
Transcriptional enhancer factor TEF-4
(Homo sapiens)
BDBM50604885
(CHEMBL5177177)
Show SMILES
Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114327
BindingDB Entry DOI:
10.7270/Q2NP28GR
More data for this
Ligand-Target Pair
Programmed cell death 1 ligand/protein 1
(Homo sapiens-Homo sapiens (Human))
BDBM50604885
(CHEMBL5177177)
Show SMILES
Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114327
BindingDB Entry DOI:
10.7270/Q2NP28GR
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human))
BDBM50604885
(CHEMBL5177177)
Show SMILES
Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114327
BindingDB Entry DOI:
10.7270/Q2NP28GR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2
(Homo sapiens (Human))
BDBM50604885
(CHEMBL5177177)
Show SMILES
Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114327
BindingDB Entry DOI:
10.7270/Q2NP28GR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2
(Homo sapiens (Human))
BDBM50604885
(CHEMBL5177177)
Show SMILES
Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114327
BindingDB Entry DOI:
10.7270/Q2NP28GR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3
(Homo sapiens (Human))
BDBM50604885
(CHEMBL5177177)
Show SMILES
Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114327
BindingDB Entry DOI:
10.7270/Q2NP28GR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3
(Homo sapiens (Human))
BDBM50604885
(CHEMBL5177177)
Show SMILES
Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114327
BindingDB Entry DOI:
10.7270/Q2NP28GR
More data for this
Ligand-Target Pair
B-cell CLL/lymphoma 9 protein
(Homo sapiens)
BDBM50604885
(CHEMBL5177177)
Show SMILES
Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114327
BindingDB Entry DOI:
10.7270/Q2NP28GR
More data for this
Ligand-Target Pair
Bcl-2-related protein A1
(Homo sapiens (Human))
BDBM50604885
(CHEMBL5177177)
Show SMILES
Fc1cccc(c1)-c1ccc2c(N3CCN(CC3)C(=O)C=C)n(Cc3ccccc3)nc2c1
Show InChI
PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
262
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114327
BindingDB Entry DOI:
10.7270/Q2NP28GR
More data for this
Ligand-Target Pair
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