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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
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null
SMILES:
CCc1cc2ncc(CN3CCC(C3)Nc3ccc(nc3)C(=O)NC)cc2[nH]c1=O
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 = 50602046
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
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human))
BDBM50602046
(CHEMBL5178741)
Show SMILES
CCc1cc2ncc(CN3CCC(C3)Nc3ccc(nc3)C(=O)NC)cc2[nH]c1=O
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.940
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.129046
BindingDB Entry DOI:
10.7270/Q2V41095
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human))
BDBM50602046
(CHEMBL5178741)
Show SMILES
CCc1cc2ncc(CN3CCC(C3)Nc3ccc(nc3)C(=O)NC)cc2[nH]c1=O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
9.44E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.129046
BindingDB Entry DOI:
10.7270/Q2V41095
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human))
BDBM50602046
(CHEMBL5178741)
Show SMILES
CCc1cc2ncc(CN3CCC(C3)Nc3ccc(nc3)C(=O)NC)cc2[nH]c1=O
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.60
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.129046
BindingDB Entry DOI:
10.7270/Q2V41095
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human))
BDBM50602046
(CHEMBL5178741)
Show SMILES
CCc1cc2ncc(CN3CCC(C3)Nc3ccc(nc3)C(=O)NC)cc2[nH]c1=O
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
68
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.129046
BindingDB Entry DOI:
10.7270/Q2V41095
More data for this
Ligand-Target Pair
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