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Compile Data Set for Download or QSAR

Found 250 hits with Last Name = 'mueller' and Initial = 'sg'   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM607605
PNG
(US11691960, Example WO2005/111014 Ex. 4)
Show SMILES Cc1cc(NC(=O)C(C)(C)NC(=O)c2ccc(Cl)s2)ccc1C(=O)N1CCCC1
PDB
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n/an/a 8n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607603
PNG
(US11691960, Example WO2005/111029 Ex. 28)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(Cl)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607602
PNG
(US11691960, Example WO2005/111029 Ex. 8)
Show SMILES Cc1cc(NC(=O)C(C)(C)NC(=O)c2ccc(Cl)s2)ccc1N1CCOCC1=O
PDB
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607591
PNG
(5-ethynyl-N-(3,3,3-trifluoro-2-((3-methyl-4-(3-oxo...)
Show SMILES Cc1cc(NC(=O)C(CNC(=O)c2ccc(s2)C#C)C(F)(F)F)ccc1N1CCOCC1=O
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM607601
PNG
(US11691960, Example WO98/22432 example 86)
Show SMILES Cc1ccc(s1)C(=O)NC(C)(C)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM607600
PNG
(US11691960, Example WO98/22432 example 53)
Show SMILES CC(C)(NC(=O)c1cccs1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607604
PNG
(US11691960, Example WO2005/111013 Ex. 22)
Show SMILES CC1CCC(C)N1c1ccc(NC(=O)C(C)(C)NC(=O)c2ccc(Cl)s2)cc1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM607592
PNG
(US11691960, Example 1)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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n/an/a 657n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM607594
PNG
(US11691960, Example 3)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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n/an/a 859n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM295694
PNG
(Example 46 in WO2010147792 | US10570125, Example 4...)
Show SMILES COCC(C)(C)c1cc(NC(=O)C(C)(C)N(C)CC2CCOCC2)on1
Show InChI InChI=1S/C19H33N3O4/c1-18(2,13-24-6)15-11-16(26-21-15)20-17(23)19(3,4)22(5)12-14-7-9-25-10-8-14/h11,14H,7-10,12-13H2,1-6H3,(H,20,23)
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1X7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM295696
PNG
(US10112934, Example 5 | US10570125, Example 5 | US...)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)C#N
Show InChI InChI=1S/C18H29N5O4S/c1-17(2,12-19)14-11-15(27-21-14)20-16(24)18(3,4)22(5)13-7-9-23(10-8-13)28(6,25)26/h11,13H,7-10H2,1-6H3,(H,20,24)
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n/an/a 2.50E+3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1X7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM295697
PNG
(Example 47 in WO2010147792 | US10570125, Example 4...)
Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)CO
Show InChI InChI=1S/C18H32N4O5S/c1-17(2,12-23)14-11-15(27-20-14)19-16(24)18(3,4)21(5)13-7-9-22(10-8-13)28(6,25)26/h11,13,23H,7-10,12H2,1-6H3,(H,19,24)
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1X7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042659
PNG
(CHEMBL3353870 | Example 190 in WO2010077836 | US10...)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)on1 |r|
Show InChI InChI=1S/C17H27N3O3/c1-17(2,3)14-11-15(23-19-14)18-16(21)13-5-4-8-20(13)12-6-9-22-10-7-12/h11-13H,4-10H2,1-3H3,(H,18,21)/t13-/m0/s1
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Similars

n/an/a 7.87E+3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1X7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM295695
PNG
(Example 7 in WO2010147792 | US11084810, Example 7 ...)
Show SMILES CN(CC1CCOCC1)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)CO
Show InChI InChI=1S/C18H31N3O4/c1-17(2,12-22)14-10-15(25-20-14)19-16(23)18(3,4)21(5)11-13-6-8-24-9-7-13/h10,13,22H,6-9,11-12H2,1-5H3,(H,19,23)
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n/an/a 8.08E+3n/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1X7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM295688
PNG
(Example 17 in WO2010036630 | US10570125, Example 1...)
Show SMILES COCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1
Show InChI InChI=1S/C18H30N2O6S/c1-17(2,12-24-5)14-10-15(26-20-14)19-16(21)18(3,4)27(22,23)11-13-6-8-25-9-7-13/h10,13H,6-9,11-12H2,1-5H3,(H,19,21)
PDB

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n/an/a 8.60E+3n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1X7B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607592
PNG
(US11691960, Example 1)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607595
PNG
(US11691960, Example 4)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Br)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607594
PNG
(US11691960, Example 3)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607593
PNG
(US11691960, Example 2)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Br)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607592
PNG
(US11691960, Example 1)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607596
PNG
(US11691960, Example 5)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607595
PNG
(US11691960, Example 4)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Br)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607594
PNG
(US11691960, Example 3)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607593
PNG
(US11691960, Example 2)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Br)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607592
PNG
(US11691960, Example 1)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607596
PNG
(US11691960, Example 5)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607595
PNG
(US11691960, Example 4)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Br)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607594
PNG
(US11691960, Example 3)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607593
PNG
(US11691960, Example 2)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Br)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607592
PNG
(US11691960, Example 1)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607593
PNG
(US11691960, Example 2)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Br)cc1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607594
PNG
(US11691960, Example 3)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607595
PNG
(US11691960, Example 4)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Br)cc1
PDB
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607596
PNG
(US11691960, Example 5)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607597
PNG
(US11691960, Example WO2007/003536 Ex. 4)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc2CCN(CCc2c1)C(=O)C(F)(F)F
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607598
PNG
(US11691960, Example WO2007/003536 Ex. 6)
Show SMILES CC(=O)N1CCc2ccc(NC(=O)C(C)(C)NC(=O)c3ccc(Cl)s3)cc2CC1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607599
PNG
(US11691960, Example WO2007/003536 Ex. 159)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ncc2CCN(Cc3ccccc3)CCc2n1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607596
PNG
(US11691960, Example 5)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1
PDB
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607593
PNG
(US11691960, Example 2)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Br)cc1
PDB
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607594
PNG
(US11691960, Example 3)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(F)c1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607595
PNG
(US11691960, Example 4)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Br)cc1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607596
PNG
(US11691960, Example 5)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1
PDB
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM607593
PNG
(US11691960, Example 2)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Br)cc1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM607595
PNG
(US11691960, Example 4)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Br)cc1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM607596
PNG
(US11691960, Example 5)
Show SMILES CC(C)(NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1
PDB
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM607592
PNG
(US11691960, Example 1)
Show SMILES CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(Cl)c(F)c1
PDB
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q27H1PPK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM435502
PNG
(US10570125, Example 134 | US11084810, Example 134 ...)
Show SMILES CC(C)(O)c1cc(NC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)on1
Show InChI InChI=1S/C14H21F3N2O5S/c1-12(2,21)9-8-10(24-19-9)18-11(20)13(3,4)25(22,23)7-5-6-14(15,16)17/h8,21H,5-7H2,1-4H3,(H,18,20)
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1X7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM435493
PNG
(US10570125, Example 7 | US11084810, Example 7 in W...)
Show SMILES CC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)on1
Show InChI InChI=1S/C15H23F3N2O5S/c1-13(2,9-21)10-8-11(25-20-10)19-12(22)14(3,4)26(23,24)7-5-6-15(16,17)18/h8,21H,5-7,9H2,1-4H3,(H,19,22)
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1X7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM295693
PNG
(US10112934, Example 4 | US10570125, Example 4 | US...)
Show SMILES CN(CC1CCOCC1)C(C)(C)C(=O)Nc1cc(no1)C(C)(C)C#N
Show InChI InChI=1S/C18H28N4O3/c1-17(2,12-19)14-10-15(25-21-14)20-16(23)18(3,4)22(5)11-13-6-8-24-9-7-13/h10,13H,6-9,11H2,1-5H3,(H,20,23)
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1X7B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM295674
PNG
(Example 1 in WO2010036630 | US11084810, Example 1 ...)
Show SMILES CC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1
Show InChI InChI=1S/C17H28N2O6S/c1-16(2,11-20)13-9-14(25-19-13)18-15(21)17(3,4)26(22,23)10-12-5-7-24-8-6-12/h9,12,20H,5-8,10-11H2,1-4H3,(H,18,21)
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1X7B
More data for this
Ligand-Target Pair
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