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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 10062   
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, inducible


(Homo sapiens (Human))
BDBM511498
PNG
(US11059792, Compound T12)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(CCO)n3-c3ccccc3)[C@@]2(C)C=C(C#N)C1=O |r,t:24|
PDB
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B.MOAD
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PC sid
UniChem
US Patent
n/an/a 11.3n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511511
PNG
(US11059792, Compound T25)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(-c4ccccc4C)n3-c3nnn(C)n3)[C@@]2(C)C=C(C#N)C1=O |r,t:29|
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n/an/a 15.4n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511492
PNG
(US11059792, Compound T6)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(C)n3-c3cccc(CCCO)c3)[C@@]2(C)C=C(C#N)C1=O |r,t:26|
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n/an/a 19.4n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511495
PNG
(US11059792, Compound T9)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(-c4cnn(C)c4)n3-c3ccccc3)[C@@]2(C)C=C(C#N)C1=O |r,t:28|
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n/an/a 22.7n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511512
PNG
(US11059792, Compound T26)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(C#N)n3-c3ccccc3)[C@@]2(C)C=C(C#N)C1=O |r,t:23|
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n/an/a 27.7n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511494
PNG
(US11059792, Compound T8)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(-c4ccccc4)n3-c3nnn(C)n3)[C@@]2(C)C=C(C#N)C1=O |r,t:28|
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n/an/a 28.8n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511509
PNG
(US11059792, Compound T23)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(Br)n3-c3ccccc3)[C@@]2(C)C=C(C#N)C1=O |r,t:22|
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n/an/a 31.1n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511489
PNG
(US11059792, Compound T3)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(C)n3-c3ccccc3)[C@@]2(C)C=C(C#N)C1=O |r,t:22|
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n/an/a 40.8n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511508
PNG
(US11059792, Compound T22)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(C)n3-c3cccc(c3)-c3cncnc3)[C@@]2(C)C=C(C#N)C1=O |r,t:29|
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n/an/a 47.8n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511510
PNG
(US11059792, Compound T24)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(-c4ccncc4)n3-c3ccccc3)[C@@]2(C)C=C(C#N)C1=O |r,t:28|
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n/an/a 48.8n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511513
PNG
(US11059792, Compound T27)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(C(N)=O)n3-c3ccccc3)[C@@]2(C)C=C(C#N)C1=O |r,t:24|
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n/an/a 53.1n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511496
PNG
(US11059792, Compound T10)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(C)n3-c3ccccc3C)[C@@]2(C)C=C(C#N)C1=O |r,wU:2.2,18.21,wD:1.0,t:23,(-2.8,-3.81,;-2.8,-2.27,;-1.47,-1.5,;-.14,-2.27,;1.2,-1.5,;1.2,.04,;-.14,.81,;.18,2.32,;1.72,2.48,;2.49,3.81,;2.34,1.07,;3.83,.67,;4.92,1.76,;6.41,1.36,;6.8,-.13,;5.72,-1.21,;4.23,-.82,;3.14,-1.91,;-1.47,.04,;-1.47,1.58,;-2.8,.81,;-4.14,.04,;-5.47,.81,;-6.8,1.58,;-4.14,-1.5,;-5.47,-2.27,)|
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n/an/a 62.8n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511505
PNG
(US11059792, Compound T19)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(C)n3-c3cccc(CCC(=O)N(C)C)c3)[C@@]2(C)C=C(C#N)C1=O |r,t:29|
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n/an/a 82.7n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511493
PNG
(US11059792, Compound T7)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(C)n3-c3cccc(c3)-c3ccccc3)[C@@]2(C)C=C(C#N)C1=O |r,t:29|
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n/an/a 91.8n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511497
PNG
(US11059792, Compound T11)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(CCOCc4ccccc4)n3-c3ccccc3)[C@@]2(C)C=C(C#N)C1=O |r,t:32|
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n/an/a 93.2n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511503
PNG
(US11059792, Compound T17)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(-c4ccccc4)n3-c3cnn(C)c3)[C@@]2(C)C=C(C#N)C1=O |r,t:28|
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n/an/a 120n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511502
PNG
(US11059792, Compound T16)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(-c4cnn(C)c4)n3-c3nnn(C)n3)[C@@]2(C)C=C(C#N)C1=O |r,t:28|
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n/an/a 132n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511491
PNG
(US11059792, Compound TS)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(C)n3-c3ccc(cc3)-c3ccccc3)[C@@]2(C)C=C(C#N)C1=O |r,t:29|
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n/an/a 136n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511514
PNG
(US11059792, Compound T28)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(C)n3-c3ccccc3)[C@@]2(C)C=C(C(N)=O)C1=O |r,t:22|
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n/an/a 138n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511487
PNG
(US11059792, Compound T1)
Show SMILES C[C@H]1[C@@H]2CCc3[nH]c(nc3[C@@]2(C)C=C(C#N)C1=O)-c1ccccc1 |r,t:14|
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n/an/a 151n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511500
PNG
(US11059792, Compound T14)
Show SMILES COC(=O)CCc1cccc(c1)-n1c(C)nc2c1CC[C@H]1[C@H](C)C(=O)C(=C[C@]21C)C#N |r,c:27|
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n/an/a 222n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511499
PNG
(US11059792, Compound T13)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(C)n3-c3cnn(C)c3)[C@@]2(C)C=C(C#N)C1=O |r,t:22|
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n/an/a 233n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511507
PNG
(US11059792, Compound T21)
Show SMILES COCCCn1c(C)nc2c1CC[C@H]1[C@H](C)C(=O)C(=C[C@]21C)C#N |r,c:19|
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n/an/a 407n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511488
PNG
(US11059792, Compound T2)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(-c4ccccc4)n3-c3ccccc3)[C@@]2(C)C=C(C#N)C1=O |r,t:28|
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n/an/a 471n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511490
PNG
(US11059792, Compound T4)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(-c4ccccc4)n3-c3cccc(CCCOC(C)=O)c3)[C@@]2(C)C=C(C#N)C1=O |r,t:35|
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n/an/a 662n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511504
PNG
(US11059792, Compound T18)
Show SMILES CNC(=O)CCc1cccc(c1)-n1c(C)nc2c1CC[C@H]1[C@H](C)C(=O)C(=C[C@]21C)C#N |r,c:27|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 693n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511506
PNG
(US11059792, Compound T20)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(C)n3-c3cccc(CCC(N)=O)c3)[C@@]2(C)C=C(C#N)C1=O |r,t:27|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM511501
PNG
(US11059792, Compound T15)
Show SMILES C[C@H]1[C@@H]2CCc3c(nc(C)n3-c3cccc(CCC(O)=O)c3)[C@@]2(C)C=C(C#N)C1=O |r,t:27|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
RAW 264.7 cells were plated 1 day in advance of experiment at a concentration of 80,000 cells/well onto CellBIND® 96 well plates (Corning, N.Y.) in a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN69XS
More data for this
Ligand-Target Pair