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Compile Data Set for Download or QSAR

Found 212 hits with Last Name = 'bender' and Initial = 'cf'   
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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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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546677
PNG
(US11292781, Compound T159)
Show SMILES CCC[C@@H]1[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1cccc2ncccc12)-c1ccccc1F |r,t:17|
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antibodypedia
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n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546675
PNG
(US11292781, Compound T158)
Show SMILES CCC[C@@H]1[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1ccnc2ccccc12)-c1ccccc1F |r,t:17|
PDB

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antibodypedia
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PC cid
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UniChem
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n/an/a 36n/an/an/an/an/an/a


TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50544871
PNG
(CHEMBL4647788 | US11292781, Compound T182)
Show SMILES [H][C@]12CCCc3c(nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)-c1ccnc(C)c1)-c1ccccc1 |r,t:15|
Show InChI InChI=1S/C28H26N4O/c1-17-14-20(12-13-30-17)27-31-24(19-8-5-4-6-9-19)22-10-7-11-23-18(2)25(33)21(16-29)15-28(23,3)26(22)32-27/h4-6,8-9,12-15,18,23H,7,10-11H2,1-3H3/t18-,23-,28-/m1/s1
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antibodypedia
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n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546557
PNG
(US11292781, Compound T43)
Show SMILES C[C@@H]1[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1ccnc(C)c1)-c1ccccc1 |r,t:15|
PDB

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antibodypedia
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n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
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|
PDB
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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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546577
PNG
(US11292781, Compound T63)
Show SMILES C[C@@H]1[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1cc(C)nc2c(F)cccc12)-c1ccccc1F |r,t:15|
PDB

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antibodypedia
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n/an/a 42n/an/an/an/an/an/a


TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50544865
PNG
(CHEMBL4638971 | US11292781, Compound T145)
Show SMILES [H][C@]12CCc3c(nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2CC=C)-c1ccnc(c1)C1CC1)-c1ccccc1F |r,t:14|
Show InChI InChI=1S/C31H27FN4O/c1-3-6-21-24-12-11-23-27(22-7-4-5-8-25(22)32)35-30(19-13-14-34-26(15-19)18-9-10-18)36-29(23)31(24,2)16-20(17-33)28(21)37/h3-5,7-8,13-16,18,21,24H,1,6,9-12H2,2H3/t21-,24-,31-/m1/s1
PDB

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antibodypedia
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n/an/a 44n/an/an/an/an/an/a


TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546621
PNG
(US11292781, Compound T105)
Show SMILES C[C@@H]1[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1ccnc2ccccc12)-c1nc(C)no1 |r,t:15|
PDB

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n/an/a 44n/an/an/an/an/an/a


TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546665
PNG
(US11292781, Compound T149)
Show SMILES CC1(C)[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1cccc2ncccc12)-c1ccccc1F |r,t:16|
PDB

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antibodypedia
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n/an/a 45n/an/an/an/an/an/a


TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
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|
PDB
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UniChem
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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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50544861
PNG
(CHEMBL4634962 | US11292781, Compound T50)
Show SMILES [H][C@]12CCc3c(nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)-c1ccnc(C)c1)-c1ccc(F)cc1 |r,t:14|
Show InChI InChI=1S/C27H23FN4O/c1-15-12-18(10-11-30-15)26-31-23(17-4-6-20(28)7-5-17)21-8-9-22-16(2)24(33)19(14-29)13-27(22,3)25(21)32-26/h4-7,10-13,16,22H,8-9H2,1-3H3/t16-,22-,27-/m1/s1
PDB

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antibodypedia
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PC cid
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UniChem
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n/an/a 49n/an/an/an/an/an/a


TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50544866
PNG
(CHEMBL4643904 | US11292781, Compound T146)
Show SMILES [H][C@]12CCc3c(nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2CCC)-c1ccnc(c1)C1CC1)-c1ccccc1F |r,t:14|
Show InChI InChI=1S/C31H29FN4O/c1-3-6-21-24-12-11-23-27(22-7-4-5-8-25(22)32)35-30(19-13-14-34-26(15-19)18-9-10-18)36-29(23)31(24,2)16-20(17-33)28(21)37/h4-5,7-8,13-16,18,21,24H,3,6,9-12H2,1-2H3/t21-,24-,31-/m1/s1
PDB

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antibodypedia
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PC cid
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UniChem
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n/an/a 49n/an/an/an/an/an/a


TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546584
PNG
(US11292781, Compound T69)
Show SMILES C[C@@H]1[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1cc(C)nc2ccccc12)-c1ccccc1F |r,t:15|
PDB

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antibodypedia
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PC cid
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n/an/a 49n/an/an/an/an/an/a


TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546566
PNG
(US11292781, Compound T52)
Show SMILES C[C@@H]1[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1ccnc2ccccc12)-c1ccc(F)cc1F |r,t:15|
PDB

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antibodypedia
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PC cid
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US Patent
n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50544859
PNG
(CHEMBL4633131 | US11292781, Compound T51)
Show SMILES [H][C@]12CCc3c(nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)-c1ccnc(C)c1)-c1ccccc1F |r,t:14|
Show InChI InChI=1S/C27H23FN4O/c1-15-12-17(10-11-30-15)26-31-23(19-6-4-5-7-22(19)28)20-8-9-21-16(2)24(33)18(14-29)13-27(21,3)25(20)32-26/h4-7,10-13,16,21H,8-9H2,1-3H3/t16-,21-,27-/m1/s1
PDB

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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546637
PNG
(US11292781, Compound T120)
Show SMILES C[C@@H]1[C@H]2CCc3c(OC4CCCC4)nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1cc(CF)nc2ccccc12 |r,t:22|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 51n/an/an/an/an/an/a


TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50544860
PNG
(CHEMBL4633864 | US11292781, Compound T56)
Show SMILES [H][C@]12CCc3c(nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)-c1ccncc1C)-c1ccccc1F |r,t:14|
Show InChI InChI=1S/C27H23FN4O/c1-15-14-30-11-10-18(15)26-31-23(19-6-4-5-7-22(19)28)20-8-9-21-16(2)24(33)17(13-29)12-27(21,3)25(20)32-26/h4-7,10-12,14,16,21H,8-9H2,1-3H3/t16-,21-,27-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 51n/an/an/an/an/an/a


TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546551
PNG
(US11292781, Compound T37)
Show SMILES C[C@@H]1[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1ccnc2ccccc12)-c1ccccc1F |r,t:15|
PDB

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TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546609
PNG
(US11292781, Compound T94)
Show SMILES C[C@@H]1[C@H]2CCc3c(OC4CCC4)nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1ccnc2ccccc12 |r,t:21|
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Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
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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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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546546
PNG
(US11292781, Compound T32)
Show SMILES C[C@@H]1[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1ccnc2ccccc12)-c1ccccc1 |r,t:15|
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The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546640
PNG
(US11292781, Compound T123)
Show SMILES CC(C)c1cc(-c2nc(c3CC[C@@H]4[C@@H](C)C(=O)C(=C[C@@]4(C)c3n2)C#N)-c2ccccc2F)c2ccccc2n1 |r,c:17|
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Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546643
PNG
(US11292781, Compound T126)
Show SMILES CC[C@]1(C)[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1ccnc2ccccc12)-c1ccccc1F |r,t:17|
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Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546589
PNG
(US11292781, Compound T74)
Show SMILES C[C@@H]1[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1ncnc2ccccc12)-c1ccccc1F |r,t:15|
PDB

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Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546632
PNG
(US11292781, Compound T115)
Show SMILES C[C@@H]1[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1cc(CF)nc2ccccc12)-c1ccccc1F |r,t:15|
PDB

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Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546618
PNG
(US11292781, Compound T102)
Show SMILES C[C@@H]1[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1ccnc2ccccc12)-c1ccco1 |r,t:15|
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Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546627
PNG
(US11292781, Compound T111)
Show SMILES C[C@@H]1[C@H]2CCc3c(OC4CCCC4)nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1cc(C)nc2ccccc12 |r,t:22|
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Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546644
PNG
(US11292781, Compound T127)
Show SMILES CC1(C)[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1ccnc2c(F)cccc12)-c1ccccc1F |r,t:16|
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TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546639
PNG
(US11292781, Compound T122)
Show SMILES CC1(C)[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1cc(CF)nc2ccccc12)-c1ccccc1F |r,t:16|
PDB

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Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546699
PNG
(US11292781, Compound T180)
Show SMILES C[C@@H]1[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1ccncc1C1CC1)-c1ccccc1F |r,t:15|
PDB

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TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546610
PNG
(US11292781, Compound T95)
Show SMILES C[C@@H]1[C@H]2CCc3c(OCC4CCC4)nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1ccnc2ccccc12 |r,t:22|
PDB

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n/an/a 61n/an/an/an/an/an/a


TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
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,)|
PDB
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UniProtKB/SwissProt

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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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546581
PNG
(US11292781, Compound T66)
Show SMILES C[C@@H]1[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1cncc2ccccc12)-c1ccccc1F |r,t:15|
PDB

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Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546641
PNG
(US11292781, Compound T124)
Show SMILES CCC[C@]1(C)[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1ccnc2ccccc12)-c1ccccc1F |r,t:18|
PDB

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Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546608
PNG
(US11292781, Compound T93)
Show SMILES C[C@@H]1[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1ccnc2ccccc12)C1CC1 |r,t:15|
PDB

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Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546554
PNG
(US11292781, Compound T40)
Show SMILES C[C@@H]1[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1ccnc2ccccc12)-c1ccc(F)cc1 |r,t:15|
PDB

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n/an/a 67n/an/an/an/an/an/a


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Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546567
PNG
(US11292781, Compound T53)
Show SMILES C[C@@H]1[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1ccnc(c1)C1CC1)-c1ccccc1F |r,t:15|
PDB

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Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546555
PNG
(US11292781, Compound T41)
Show SMILES CC(C)Oc1nc(nc2c1CC[C@@H]1[C@@H](C)C(=O)C(=C[C@@]21C)C#N)-c1ccnc2ccccc12 |r,c:18|
PDB

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TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546636
PNG
(US11292781, Compound T119)
Show SMILES Cc1cc(-c2nc(c3CC[C@@H]4C(C)(C)C(=O)C(=C[C@@]4(C)c3n2)C#N)-c2ccccc2F)c2ccccc2n1 |r,c:16|
PDB

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Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50544855
PNG
(CHEMBL4633488 | US11292781, Compound T14)
Show SMILES [H][C@]12CCc3c(nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)-c1ccncc1)-c1ccccc1 |r,t:14|
Show InChI InChI=1S/C26H22N4O/c1-16-21-9-8-20-22(17-6-4-3-5-7-17)29-25(18-10-12-28-13-11-18)30-24(20)26(21,2)14-19(15-27)23(16)31/h3-7,10-14,16,21H,8-9H2,1-2H3/t16-,21-,26-/m1/s1
PDB

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TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM546635
PNG
(US11292781, Compound T118)
Show SMILES CC1(C)[C@H]2CCc3c(nc(nc3[C@]2(C)C=C(C#N)C1=O)-c1ccnc2ccccc12)-c1ccccc1F |r,t:16|
PDB

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Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50544862
PNG
(CHEMBL4645611 | US11292781, Compound T83)
Show SMILES [H][C@]12CCc3c(nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)-c1ccnc(CF)c1)-c1ccccc1F |r,t:14|
Show InChI InChI=1S/C27H22F2N4O/c1-15-21-8-7-20-23(19-5-3-4-6-22(19)29)32-26(16-9-10-31-18(11-16)13-28)33-25(20)27(21,2)12-17(14-30)24(15)34/h3-6,9-12,15,21H,7-8,13H2,1-2H3/t15-,21-,27-/m1/s1
PDB

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n/an/a 72n/an/an/an/an/an/a


TBA

Assay Description
The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24F1TXR
More data for this
Ligand-Target Pair
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