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Target
Sequence
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IC50
Kd
EC50
Rate constants
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ΔH°
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Ki
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null
SMILES:
Nc1ncc(-c2cnn(c2)C2CCNCC2)c2CCN(C3CCCCC3)C(=O)c12
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 = 50596221
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
Serine/threonine-protein kinase receptor R3
(Homo sapiens (Human))
BDBM50596221
(CHEMBL5186575)
Show SMILES
Nc1ncc(-c2cnn(c2)C2CCNCC2)c2CCN(C3CCCCC3)C(=O)c12
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
15
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128452
BindingDB Entry DOI:
10.7270/Q2JS9VGJ
More data for this
Ligand-Target Pair
Activin receptor type-1
(Homo sapiens (Human))
BDBM50596221
(CHEMBL5186575)
Show SMILES
Nc1ncc(-c2cnn(c2)C2CCNCC2)c2CCN(C3CCCCC3)C(=O)c12
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
181
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128452
BindingDB Entry DOI:
10.7270/Q2JS9VGJ
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1A
(Homo sapiens (Human))
BDBM50596221
(CHEMBL5186575)
Show SMILES
Nc1ncc(-c2cnn(c2)C2CCNCC2)c2CCN(C3CCCCC3)C(=O)c12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
171
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128452
BindingDB Entry DOI:
10.7270/Q2JS9VGJ
More data for this
Ligand-Target Pair
Activin receptor type-1
(Homo sapiens (Human))
BDBM50596221
(CHEMBL5186575)
Show SMILES
Nc1ncc(-c2cnn(c2)C2CCNCC2)c2CCN(C3CCCCC3)C(=O)c12
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128452
BindingDB Entry DOI:
10.7270/Q2JS9VGJ
More data for this
Ligand-Target Pair
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