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Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with all data for entry = 50011451   
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
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM254887
PNG
(US9493472, 10)
Show SMILES COc1cc(cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)(CCO)OC[C@H]1C |r|
Show InChI InChI=1S/C25H29ClFN3O5/c1-15-13-34-25(2,7-8-31)14-30(15)23(32)17-10-19-22(21(11-17)33-3)35-24(28-19)29-20(12-27)16-5-4-6-18(26)9-16/h4-6,9-11,15,20,31H,7-8,12-14H2,1-3H3,(H,28,29)/t15-,20-,25?/m1/s1
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n/an/a 0.0900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547821
PNG
(CHEMBL4761137)
Show SMILES COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N1CC(C)C(O)CC1CCO
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n/an/a 0.270n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM254899
PNG
(US9493472, 21)
Show SMILES COc1cc(cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)OCC1C1CC(O)C1 |r,wU:10.9,(-3.32,5.32,;-1.98,4.55,;-1.98,3.01,;-3.32,2.24,;-3.32,.7,;-1.98,-.07,;-.65,.7,;.82,.23,;1.72,1.47,;3.26,1.47,;4.03,.14,;3.26,-1.19,;4.03,-2.53,;5.57,.14,;6.34,1.47,;7.88,1.47,;8.65,.14,;7.88,-1.19,;8.65,-2.53,;6.34,-1.19,;.82,2.72,;-.65,2.24,;-4.65,-.07,;-4.65,-1.61,;-5.98,.7,;-5.98,2.24,;-7.32,3.01,;-7.32,4.55,;-8.65,2.24,;-8.65,.7,;-7.32,-.07,;-7.32,-1.61,;-8.41,-2.69,;-7.32,-3.78,;-7.32,-5.32,;-6.23,-2.69,)|
Show InChI InChI=1S/C26H29ClFN3O5/c1-14-12-31(22(13-35-14)16-7-19(32)8-16)25(33)17-9-20-24(23(10-17)34-2)36-26(29-20)30-21(11-28)15-4-3-5-18(27)6-15/h3-6,9-10,14,16,19,21-22,32H,7-8,11-13H2,1-2H3,(H,29,30)/t14?,16?,19?,21-,22?/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547825
PNG
(CHEMBL4749829)
Show SMILES CC[C@@H]1CO[C@@](C)(CCO)CN1C(=O)c1cc(OC)c2oc(N[C@H](C)c3cccc(Cl)c3)nc2c1 |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547824
PNG
(CHEMBL4754786)
Show SMILES COc1cc(cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)(CCO)OC[C@H]1C |r|
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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547836
PNG
(CHEMBL4763593)
Show SMILES COc1cc(cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1C[C@H](C)OC[C@@H]1CCO |r|
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n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547829
PNG
(CHEMBL4776051)
Show SMILES COc1cc(cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)OCC1C1CC(O)C1 |r,wD:10.10,(20.64,-12.93,;19.31,-13.7,;19.32,-15.24,;17.99,-16.01,;17.98,-17.56,;19.32,-18.33,;20.66,-17.56,;22.14,-18.03,;23.04,-16.77,;24.58,-16.76,;25.36,-18.09,;26.9,-18.08,;24.6,-19.43,;25.38,-20.75,;24.63,-22.09,;23.08,-22.1,;22.3,-20.77,;20.76,-20.78,;23.06,-19.43,;22.12,-15.52,;20.65,-16.01,;16.65,-18.33,;16.65,-19.87,;15.32,-17.56,;15.32,-16.02,;13.99,-15.24,;14,-13.7,;12.65,-16.01,;12.65,-17.55,;13.98,-18.33,;13.98,-19.86,;12.89,-20.95,;13.98,-22.04,;13.97,-23.58,;15.07,-20.95,)|
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547830
PNG
(CHEMBL4796689)
Show SMILES COc1cc(cc2nc(NCc3cc(Cl)ccn3)oc12)C(=O)N1CC(C)(CCO)OC[C@H]1C |r|
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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547827
PNG
(CHEMBL4786634)
Show SMILES COc1cc(cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12)C(=O)N1C[C@H](C)OC[C@@H]1CCO |r|
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547822
PNG
(CHEMBL4787137)
Show SMILES COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N1CC(C)CCC1CCO
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n/an/a 4.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547822
PNG
(CHEMBL4787137)
Show SMILES COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N1CC(C)CCC1CCO
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n/an/a 4.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547828
PNG
(CHEMBL4758225)
Show SMILES COc1cc(cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12)C(=O)N1C[C@@H](C)OC[C@H]1CCO |r|
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547832
PNG
(CHEMBL4793547)
Show SMILES COc1cc(cc2nc(NCc3cc(Cl)ccn3)oc12)C(=O)N1CC(C)OCC1C1CC(O)C1 |(46.57,-2.43,;45.24,-3.2,;45.25,-4.74,;43.92,-5.51,;43.92,-7.06,;45.25,-7.83,;46.59,-7.06,;48.07,-7.53,;48.97,-6.27,;50.51,-6.26,;51.29,-7.59,;50.53,-8.93,;48.99,-8.93,;48.23,-10.27,;46.69,-10.28,;49.01,-11.6,;50.56,-11.59,;51.31,-10.25,;48.05,-5.02,;46.58,-5.51,;42.58,-7.83,;42.58,-9.37,;41.25,-7.06,;41.25,-5.52,;39.92,-4.74,;39.93,-3.2,;38.58,-5.51,;38.58,-7.05,;39.91,-7.83,;39.91,-9.36,;38.82,-10.45,;39.91,-11.54,;39.91,-13.08,;41,-10.45,)|
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547820
PNG
(CHEMBL4783934)
Show SMILES COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N1CC(C)C(O)CC1C1CC1
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547833
PNG
(CHEMBL4776950)
Show SMILES COc1cc(cn2nc(NCc3cccc(Cl)c3)nc12)C(=O)N1CC(C)(CCO)OC[C@H]1C |r|
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n/an/a 8.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547835
PNG
(CHEMBL4793166)
Show SMILES COc1cc(cn2nc(NCc3cccc(Cl)c3)nc12)C(=O)N1CC(C)OCC1C1CC(O)C1 |(16.59,-6.65,;15.26,-7.42,;15.26,-8.96,;13.93,-9.73,;13.93,-11.27,;15.27,-12.04,;16.61,-11.27,;18.09,-11.74,;18.99,-10.48,;20.53,-10.48,;21.31,-11.8,;20.55,-13.14,;21.33,-14.46,;20.57,-15.8,;19.03,-15.82,;18.25,-14.49,;16.71,-14.49,;19.01,-13.15,;18.07,-9.24,;16.6,-9.72,;12.6,-12.04,;12.6,-13.58,;11.27,-11.27,;11.27,-9.73,;9.94,-8.96,;9.95,-7.42,;8.6,-9.72,;8.6,-11.27,;9.93,-12.05,;9.93,-13.59,;8.84,-14.67,;9.93,-15.76,;9.92,-17.3,;11.02,-14.67,)|
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n/an/a 9.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547802
PNG
(CHEMBL4778975)
Show SMILES COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N1CC[C@@H](O)[C@H](C)C1 |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Prothrombin


(Rattus norvegicus)
BDBM50547836
PNG
(CHEMBL4763593)
Show SMILES COc1cc(cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1C[C@H](C)OC[C@@H]1CCO |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of thrombin in rat plasma


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547826
PNG
(CHEMBL4760241)
Show SMILES COc1cc(cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)OCC1CO |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547795
PNG
(CHEMBL4746879)
Show SMILES CCCN(CC1CCOC1)C(=O)c1cc(OC)c2oc(NCc3cccc(Cl)c3)nc2c1
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547819
PNG
(CHEMBL4780902)
Show SMILES CCC1CC(O)C(C)CN1C(=O)c1cc(OC)c2oc(NCc3cccc(Cl)c3)nc2c1
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547823
PNG
(CHEMBL4745256)
Show SMILES COc1cc(cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12)C(=O)N1CCOC(C)(CCO)C1 |r|
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thrombin


(Oryctolagus cuniculus)
BDBM50547836
PNG
(CHEMBL4763593)
Show SMILES COc1cc(cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1C[C@H](C)OC[C@@H]1CCO |r|
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TBA

Assay Description
Inhibition of thrombin in rabbit plasma


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547804
PNG
(CHEMBL4746084)
Show SMILES COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N1CCC(O)C(C)C1
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547799
PNG
(CHEMBL4740641)
Show SMILES COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N1CCOC(C)(C)C1
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547831
PNG
(CHEMBL4758628)
Show SMILES COc1cc(cc2nc(NCc3cc(Cl)ccn3)oc12)C(=O)N1CC(C)OCC1CCO
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547844
PNG
(CHEMBL4776500)
Show SMILES CCCN(CC1CCOC1)C(=O)c1cc(C)c2oc(NCc3cccc(Cl)c3)nc2c1
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547801
PNG
(CHEMBL4779404)
Show SMILES COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N1CC[C@@H](O)C(C)(C)C1 |r|
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547797
PNG
(CHEMBL4780106)
Show SMILES COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N1CCC(C)(C)C1
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547796
PNG
(CHEMBL4744424)
Show SMILES COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N1CCCC1(C)C
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547812
PNG
(CHEMBL4761797)
Show SMILES COc1cc(cc2nc(N[C@H](C)c3cccc(Cl)c3)oc12)C(=O)N1CCC(O)C(C)C1 |r|
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547834
PNG
(CHEMBL4761266)
Show SMILES COc1cc(cn2nc(NCc3cccc(Cl)c3)nc12)C(=O)N1CC(C)OCC1CCO
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547802
PNG
(CHEMBL4778975)
Show SMILES COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N1CC[C@@H](O)[C@H](C)C1 |r|
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TBA

Assay Description
Inhibition of thrombin in human plasma


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547840
PNG
(CHEMBL4750567)
Show SMILES CCn1cccc(-c2ccc(cc2OC)N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)c1=O |r|
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547818
PNG
(CHEMBL4748308)
Show SMILES COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N1CC(C)C(O)CC1C
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547818
PNG
(CHEMBL4748308)
Show SMILES COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N1CC(C)C(O)CC1C
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547843
PNG
(CHEMBL4746517)
Show SMILES CCCN(CC1CCOC1)C(=O)c1cc(Cl)c2oc(NCc3cccc(Cl)c3)nc2c1
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547845
PNG
(CHEMBL4753159)
Show SMILES CCCN(CC1CCOC1)C(=O)c1cc(CC)c2oc(NCc3cccc(Cl)c3)nc2c1
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547803
PNG
(CHEMBL4760114)
Show SMILES COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N1CC[C@H](O)[C@@H](C)C1 |r|
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547814
PNG
(CHEMBL4754997)
Show SMILES COc1cc(cc2nc(NC3(CC3)c3cccc(Cl)c3)oc12)C(=O)N1CCC(O)C(C)C1
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547810
PNG
(CHEMBL4793674)
Show SMILES COc1cc(cc2nc(NCc3cc(Cl)ccc3O)oc12)C(=O)N1CCC(O)C(C)C1
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547837
PNG
(CHEMBL4759089)
Show SMILES Clc1cccc(CNC(=O)c2ccc3cn(CCn4cccn4)nc3c2)c1
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547794
PNG
(CHEMBL4785385)
Show SMILES COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N1CCCC1
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547805
PNG
(CHEMBL4756958)
Show SMILES COc1cc(cc2nc(NCc3cc(Cl)ccn3)oc12)C(=O)N1CCC(O)C(C)C1
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547841
PNG
(CHEMBL4758258)
Show SMILES COc1ccc(cc1OC)-n1cc(nc1NC(=O)CN(C(C)C)C(=O)Cc1cccc(Cl)c1)-c1ccccc1
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547842
PNG
(CHEMBL4756371)
Show SMILES CCCN(CC1CCOC1)C(=O)c1ccc2oc(NCc3cccc(Cl)c3)nc2c1
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547847
PNG
(CHEMBL4757512)
Show SMILES Clc1cccc(CNC(=O)c2ccc3cn(CCN4CCOC4=O)nc3c2)c1
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547838
PNG
(CHEMBL4751951)
Show SMILES Clc1cccc(CNC(=O)c2cc(Cl)c3cn(CCn4cccn4)nc3c2)c1
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547809
PNG
(CHEMBL4781058)
Show SMILES COc1cc(cc2nc(NCc3cc(Cl)ccc3F)oc12)C(=O)N1CCC(O)C(C)C1
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
Thyroid hormone receptor beta


(Homo sapiens (Human))
BDBM50547800
PNG
(CHEMBL4763516)
Show SMILES COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N1CCC(O)CC1
PDB
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TBA

Assay Description
Inhibition of purified human plasma thrombin using Boc-Asp(OBzl)-Pro-Arg-AMC substrate incubated for 30 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01035
BindingDB Entry DOI: 10.7270/Q2Z60SND
More data for this
Ligand-Target Pair
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