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Target
Sequence
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Ki
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null
SMILES:
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
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
21
hits for monomerid = 50595124
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
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.790
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00302
BindingDB Entry DOI:
10.7270/Q20Z779V
More data for this
Ligand-Target Pair
Epidermal growth factor receptor
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
500
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113218
BindingDB Entry DOI:
10.7270/Q2PN99PG
More data for this
Ligand-Target Pair
Histone deacetylase
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
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antibodypedia
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112904
BindingDB Entry DOI:
10.7270/Q2XP791Q
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
54
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112904
BindingDB Entry DOI:
10.7270/Q2XP791Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
PDB
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KEGG
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.130
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c02167
BindingDB Entry DOI:
10.7270/Q22R3WQ4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
PDB
MMDB
KEGG
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c02167
BindingDB Entry DOI:
10.7270/Q22R3WQ4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.0400
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c02167
BindingDB Entry DOI:
10.7270/Q22R3WQ4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
PDB
KEGG
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.110
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c02167
BindingDB Entry DOI:
10.7270/Q22R3WQ4
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
PDB
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KEGG
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c02167
BindingDB Entry DOI:
10.7270/Q22R3WQ4
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
PDB
MMDB
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KEGG
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c02167
BindingDB Entry DOI:
10.7270/Q22R3WQ4
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c02167
BindingDB Entry DOI:
10.7270/Q22R3WQ4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c02167
BindingDB Entry DOI:
10.7270/Q22R3WQ4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
130
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c02167
BindingDB Entry DOI:
10.7270/Q22R3WQ4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.60E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c02167
BindingDB Entry DOI:
10.7270/Q22R3WQ4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
7
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c02167
BindingDB Entry DOI:
10.7270/Q22R3WQ4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
PDB
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NCI pathway
Reactome pathway
KEGG
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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.0c02167
BindingDB Entry DOI:
10.7270/Q22R3WQ4
More data for this
Ligand-Target Pair
Coiled-coil domain-containing protein 6
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c02167
BindingDB Entry DOI:
10.7270/Q22R3WQ4
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
PDB
NCI pathway
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KEGG
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PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
200
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114346
BindingDB Entry DOI:
10.7270/Q2PZ5DT3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
40
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113218
BindingDB Entry DOI:
10.7270/Q2PN99PG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
110
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113218
BindingDB Entry DOI:
10.7270/Q2PN99PG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor
(Homo sapiens (Human))
BDBM50595124
(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)
Show SMILES
COc1cc2c(cc1OCC1CCN(C)CC1)[nH]cn\c2=N/c1ccc(Br)cc1F
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
369
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI:
10.7270/Q2QF8XXX
More data for this
Ligand-Target Pair
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