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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50016115   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50592473
PNG
(CHEMBL5191295)
Show SMILES CNCCCc1cc(C)cc(N)n1
PDB
MMDB

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21n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50592474
PNG
(CHEMBL5189279)
Show SMILES CN(C)CCCc1cc(C)cc(N)n1
PDB
MMDB

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26n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50592474
PNG
(CHEMBL5189279)
Show SMILES CN(C)CCCc1cc(C)cc(N)n1
PDB
MMDB

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29n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50592473
PNG
(CHEMBL5191295)
Show SMILES CNCCCc1cc(C)cc(N)n1
PDB
MMDB

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29n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50592478
PNG
(CHEMBL5186489)
Show SMILES CN(C)CCCCc1cc(C)cc(N)n1
PDB
MMDB

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36n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50592482
PNG
(CHEMBL5182377)
Show SMILES Cc1cc(N)nc(CCCN2CCC(F)(F)CC2)c1
PDB
MMDB

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46n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50592482
PNG
(CHEMBL5182377)
Show SMILES Cc1cc(N)nc(CCCN2CCC(F)(F)CC2)c1
PDB
MMDB

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48n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50592476
PNG
(CHEMBL5204256)
Show SMILES CN1CCN(CCCc2cc(C)cc(N)n2)CC1
PDB
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56n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50592478
PNG
(CHEMBL5186489)
Show SMILES CN(C)CCCCc1cc(C)cc(N)n1
PDB
MMDB

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58n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50592472
PNG
(CHEMBL5176637)
Show SMILES CNCC#Cc1cc(C)cc(N)n1
PDB
MMDB

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88n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50592472
PNG
(CHEMBL5176637)
Show SMILES CNCC#Cc1cc(C)cc(N)n1
PDB
MMDB

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92n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50592480
PNG
(CHEMBL5204779)
Show SMILES Cc1cc(N)nc(CCCN2CC(F)(F)C2)c1
PDB
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95n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50592480
PNG
(CHEMBL5204779)
Show SMILES Cc1cc(N)nc(CCCN2CC(F)(F)C2)c1
PDB
MMDB

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149n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50592476
PNG
(CHEMBL5204256)
Show SMILES CN1CCN(CCCc2cc(C)cc(N)n2)CC1
PDB
MMDB

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171n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50592477
PNG
(CHEMBL5175065)
Show SMILES CN(C)CCC#Cc1cc(C)cc(N)n1
PDB
MMDB

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242n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50592477
PNG
(CHEMBL5175065)
Show SMILES CN(C)CCC#Cc1cc(C)cc(N)n1
PDB
MMDB

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327n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50592479
PNG
(CHEMBL5192809)
Show SMILES Cc1cc(N)nc(c1)C#CCN1CC(F)(F)C1
PDB
MMDB

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465n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50592479
PNG
(CHEMBL5192809)
Show SMILES Cc1cc(N)nc(c1)C#CCN1CC(F)(F)C1
PDB
MMDB

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488n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50592473
PNG
(CHEMBL5191295)
Show SMILES CNCCCc1cc(C)cc(N)n1
PDB
MMDB

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669n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50592475
PNG
(CHEMBL5172237)
Show SMILES CN1CCN(CC#Cc2cc(C)cc(N)n2)CC1
PDB
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947n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50592481
PNG
(CHEMBL5188800)
Show SMILES Cc1cc(N)nc(c1)C#CCN1CCC(F)(F)CC1
PDB
MMDB

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1.43E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50592473
PNG
(CHEMBL5191295)
Show SMILES CNCCCc1cc(C)cc(N)n1
PDB

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1.47E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Rattus norvegicus (rat))
BDBM50592481
PNG
(CHEMBL5188800)
Show SMILES Cc1cc(N)nc(c1)C#CCN1CCC(F)(F)CC1
PDB
MMDB

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1.59E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50592472
PNG
(CHEMBL5176637)
Show SMILES CNCC#Cc1cc(C)cc(N)n1
PDB

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1.92E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50592475
PNG
(CHEMBL5172237)
Show SMILES CN1CCN(CC#Cc2cc(C)cc(N)n2)CC1
PDB
MMDB

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2.12E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50592474
PNG
(CHEMBL5189279)
Show SMILES CN(C)CCCc1cc(C)cc(N)n1
PDB
MMDB

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2.83E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50592472
PNG
(CHEMBL5176637)
Show SMILES CNCC#Cc1cc(C)cc(N)n1
PDB
MMDB

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3.58E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50592474
PNG
(CHEMBL5189279)
Show SMILES CN(C)CCCc1cc(C)cc(N)n1
PDB

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3.66E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50592480
PNG
(CHEMBL5204779)
Show SMILES Cc1cc(N)nc(CCCN2CC(F)(F)C2)c1
PDB
MMDB

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4.36E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50592479
PNG
(CHEMBL5192809)
Show SMILES Cc1cc(N)nc(c1)C#CCN1CC(F)(F)C1
PDB

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5.13E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50592480
PNG
(CHEMBL5204779)
Show SMILES Cc1cc(N)nc(CCCN2CC(F)(F)C2)c1
PDB

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6.27E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50592482
PNG
(CHEMBL5182377)
Show SMILES Cc1cc(N)nc(CCCN2CCC(F)(F)CC2)c1
PDB
MMDB

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6.48E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50592478
PNG
(CHEMBL5186489)
Show SMILES CN(C)CCCCc1cc(C)cc(N)n1
PDB

UniProtKB/SwissProt

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7.35E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50592478
PNG
(CHEMBL5186489)
Show SMILES CN(C)CCCCc1cc(C)cc(N)n1
PDB
MMDB

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7.67E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50592476
PNG
(CHEMBL5204256)
Show SMILES CN1CCN(CCCc2cc(C)cc(N)n2)CC1
PDB
MMDB

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1.02E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50592479
PNG
(CHEMBL5192809)
Show SMILES Cc1cc(N)nc(c1)C#CCN1CC(F)(F)C1
PDB
MMDB

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1.11E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50592476
PNG
(CHEMBL5204256)
Show SMILES CN1CCN(CCCc2cc(C)cc(N)n2)CC1
PDB

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1.25E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50592482
PNG
(CHEMBL5182377)
Show SMILES Cc1cc(N)nc(CCCN2CCC(F)(F)CC2)c1
PDB

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1.86E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50592481
PNG
(CHEMBL5188800)
Show SMILES Cc1cc(N)nc(c1)C#CCN1CCC(F)(F)CC1
PDB

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1.90E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50592481
PNG
(CHEMBL5188800)
Show SMILES Cc1cc(N)nc(c1)C#CCN1CCC(F)(F)CC1
PDB
MMDB

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2.74E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50592477
PNG
(CHEMBL5175065)
Show SMILES CN(C)CCC#Cc1cc(C)cc(N)n1
PDB
MMDB

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2.98E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50592475
PNG
(CHEMBL5172237)
Show SMILES CN1CCN(CC#Cc2cc(C)cc(N)n2)CC1
PDB

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4.38E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50592477
PNG
(CHEMBL5175065)
Show SMILES CN(C)CCC#Cc1cc(C)cc(N)n1
PDB

UniProtKB/SwissProt

antibodypedia
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7.05E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50592475
PNG
(CHEMBL5172237)
Show SMILES CN1CCN(CC#Cc2cc(C)cc(N)n2)CC1
PDB
MMDB

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1.14E+5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116878
BindingDB Entry DOI: 10.7270/Q2VQ36P6
More data for this
Ligand-Target Pair