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Compile Data Set for Download or QSAR

Found 456 hits with Last Name = 'lesch' and Initial = 'b'   
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
Cathepsin S


(Homo sapiens (Human))		BDBM50546794
PNG
(CHEMBL4777335)
Show SMILES CC(C)(C)CC(=O)N[C@@H](CS(=O)(=O)N1CCN(CC1)c1ccccn1)C(=O)NC1(CC1)C#N |r|
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 0.0900n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human Cathepsin S expressed in baculovirus infected insect cells using Z-VVR-AMC as substrate preincubated for 15 mins foll...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00949
BindingDB Entry DOI: 10.7270/Q2NV9NVM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50546794
PNG
(CHEMBL4777335)
Show SMILES CC(C)(C)CC(=O)N[C@@H](CS(=O)(=O)N1CCN(CC1)c1ccccn1)C(=O)NC1(CC1)C#N |r|
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 0.0900n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human Cathepsin S expressed in baculovirus infected insect cells using Z-VVR-AMC as substrate preincubated for 15 mins foll...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00949
BindingDB Entry DOI: 10.7270/Q2NV9NVM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM176555
PNG
(US9120756, 17)
Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H28ClFN4O3S/c1-15(16-9-10-21(20(26)11-16)29-34(5,32)33)23(31)27-14-19-13-22(24(2,3)4)28-30(19)18-8-6-7-17(25)12-18/h6-13,15,29H,14H2,1-5H3,(H,27,31)/t15-/m0/s1
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US Patent
 0.100n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...

US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM342149
PNG
(1-((2-(tert-butyl)-4-(3-chlorophenyl)thiazol-5-yl)...)
Show SMILES CC(C)(C)c1nc(c(CNC(=O)Nc2cccc3cnccc23)s1)-c1cccc(Cl)c1
Show InChI InChI=1S/C24H23ClN4OS/c1-24(2,3)22-29-21(15-6-4-8-17(25)12-15)20(31-22)14-27-23(30)28-19-9-5-7-16-13-26-11-10-18(16)19/h4-13H,14H2,1-3H3,(H2,27,28,30)
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 0.100n/an/an/an/an/an/an/an/a



Medifron DBT Inc.

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions during a kinetic measurement. First the compounds to be tested (5 μM) are pipetted onto the...

US Patent US9771359 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ3984
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM176564
PNG
(US9120756, 26)
Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-6-7-18(17(23)8-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-5-3-4-14(22)9-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)/t12-/m0/s1
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 0.100 -59.4n/an/an/an/an/an/a37



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the vanilloid receptor 1 (VR1) can also be determined using the following assa...

US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM176564
PNG
(US9120756, 26)
Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-6-7-18(17(23)8-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-5-3-4-14(22)9-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)/t12-/m0/s1
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 0.100n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...

US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM176555
PNG
(US9120756, 17)
Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H28ClFN4O3S/c1-15(16-9-10-21(20(26)11-16)29-34(5,32)33)23(31)27-14-19-13-22(24(2,3)4)28-30(19)18-8-6-7-17(25)12-18/h6-13,15,29H,14H2,1-5H3,(H,27,31)/t15-/m0/s1
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 0.100 -59.4n/an/an/an/an/an/a37



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the vanilloid receptor 1 (VR1) can also be determined using the following assa...

US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM176554
PNG
(US9120756, 16)
Show SMILES CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H28ClFN4O3S/c1-15(16-9-10-21(20(26)11-16)29-34(5,32)33)23(31)27-14-19-13-22(24(2,3)4)28-30(19)18-8-6-7-17(25)12-18/h6-13,15,29H,14H2,1-5H3,(H,27,31)
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 0.200n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...

US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50546795
PNG
(CHEMBL4777740)
Show SMILES O=C(Cc1cccs1)N[C@@H](CS(=O)(=O)N1CCN(CC1)c1ccccn1)C(=O)NC1(CC1)C#N |r|
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 0.200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human Cathepsin S expressed in baculovirus infected insect cells using Z-VVR-AMC as substrate preincubated for 15 mins foll...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00949
BindingDB Entry DOI: 10.7270/Q2NV9NVM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50546795
PNG
(CHEMBL4777740)
Show SMILES O=C(Cc1cccs1)N[C@@H](CS(=O)(=O)N1CCN(CC1)c1ccccn1)C(=O)NC1(CC1)C#N |r|
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 0.200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human Cathepsin S expressed in baculovirus infected insect cells using Z-VVR-AMC as substrate preincubated for 15 mins foll...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00949
BindingDB Entry DOI: 10.7270/Q2NV9NVM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50546796
PNG
(CHEMBL4761229)
Show SMILES O=C(NC1(CC1)C#N)[C@H](CS(=O)(=O)N1CCN(CC1)c1ccccn1)Nc1cccnc1 |r|
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 0.25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human Cathepsin S expressed in baculovirus infected insect cells using Z-VVR-AMC as substrate preincubated for 15 mins foll...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00949
BindingDB Entry DOI: 10.7270/Q2NV9NVM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))		BDBM50546796
PNG
(CHEMBL4761229)
Show SMILES O=C(NC1(CC1)C#N)[C@H](CS(=O)(=O)N1CCN(CC1)c1ccccn1)Nc1cccnc1 |r|
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 0.25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human Cathepsin S expressed in baculovirus infected insect cells using Z-VVR-AMC as substrate preincubated for 15 mins foll...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00949
BindingDB Entry DOI: 10.7270/Q2NV9NVM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM176554
PNG
(US9120756, 16)
Show SMILES CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H28ClFN4O3S/c1-15(16-9-10-21(20(26)11-16)29-34(5,32)33)23(31)27-14-19-13-22(24(2,3)4)28-30(19)18-8-6-7-17(25)12-18/h6-13,15,29H,14H2,1-5H3,(H,27,31)
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 0.300 -56.5n/an/an/an/an/an/a37



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the vanilloid receptor 1 (VR1) can also be determined using the following assa...

US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM176561
PNG
(US9120756, 23)
Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1ccc(Cl)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-3-8-18(17(23)9-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-6-4-14(22)5-7-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)/t12-/m0/s1
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 0.300 -56.5n/an/an/an/an/an/a37



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the vanilloid receptor 1 (VR1) can also be determined using the following assa...

US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM176562
PNG
(US9120756, 24)
Show SMILES CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-6-7-18(17(23)8-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-5-3-4-14(22)9-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)
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 0.300 -56.5n/an/an/an/an/an/a37



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the vanilloid receptor 1 (VR1) can also be determined using the following assa...

US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM176559
PNG
(US9120756, 21)
Show SMILES CC(C(=O)NCc1cc(nn1-c1ccc(Cl)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-3-8-18(17(23)9-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-6-4-14(22)5-7-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)
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 0.300 -56.5n/an/an/an/an/an/a37



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the vanilloid receptor 1 (VR1) can also be determined using the following assa...

US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50553855
PNG
(CHEMBL4782906)
Show SMILES CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(n1)-c1cccc(c1)C(F)(F)F
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TBA

Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced Ca2+ response treated with compound 6 mins p...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127548
BindingDB Entry DOI: 10.7270/Q2VD733R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50232114
PNG
((R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(...)
Show SMILES CC(C)(C)c1ccc2[C@@H](CCc2c1)NC(=O)Nc1cccc2[nH]ncc12
Show InChI InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1
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 0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced Ca2+ response treated with compound 6 mins p...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127548
BindingDB Entry DOI: 10.7270/Q2VD733R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM176555
PNG
(US9120756, 17)
Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H28ClFN4O3S/c1-15(16-9-10-21(20(26)11-16)29-34(5,32)33)23(31)27-14-19-13-22(24(2,3)4)28-30(19)18-8-6-7-17(25)12-18/h6-13,15,29H,14H2,1-5H3,(H,27,31)/t15-/m0/s1
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 0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced TRPV1 activation by FLIPR method

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128266
BindingDB Entry DOI: 10.7270/Q2CV4NG9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50398494
PNG
(CHEMBL2177429)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m0/s1
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 0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced TRPV1 activation by FLIPR method

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128266
BindingDB Entry DOI: 10.7270/Q2CV4NG9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM176564
PNG
(US9120756, 26)
Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-6-7-18(17(23)8-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-5-3-4-14(22)9-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)/t12-/m0/s1
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 0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced TRPV1 activation by FLIPR method

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128266
BindingDB Entry DOI: 10.7270/Q2CV4NG9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM342128
PNG
(N-((4-(3-chlorophenyl)-2-(trifluoromethyl)thiazol-...)
Show SMILES CC(C(=O)NCc1sc(nc1-c1cccc(Cl)c1)C(F)(F)F)c1cnc(CO)c(F)c1
Show InChI InChI=1S/C20H16ClF4N3O2S/c1-10(12-6-14(22)15(9-29)26-7-12)18(30)27-8-16-17(11-3-2-4-13(21)5-11)28-19(31-16)20(23,24)25/h2-7,10,29H,8-9H2,1H3,(H,27,30)
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 0.300n/an/an/an/an/an/an/an/a



Medifron DBT Inc.

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions during a kinetic measurement. First the compounds to be tested (5 μM) are pipetted onto the...

US Patent US9771359 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ3984
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM176549
PNG
(US9120756, 7)
Show SMILES CC(C(=O)NCc1cc(nn1C1CCCCC1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H35FN4O3S/c1-16(17-11-12-21(20(25)13-17)28-33(5,31)32)23(30)26-15-19-14-22(24(2,3)4)27-29(19)18-9-7-6-8-10-18/h11-14,16,18,28H,6-10,15H2,1-5H3,(H,26,30)
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 0.350n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...

US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM176562
PNG
(US9120756, 24)
Show SMILES CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-6-7-18(17(23)8-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-5-3-4-14(22)9-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)
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 0.400n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...

US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM176566
PNG
(US9120756, 28)
Show SMILES COc1cc(ccc1NS(C)(=O)=O)C(C)C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C22H22ClF3N4O4S/c1-13(14-7-8-18(19(9-14)34-2)29-35(3,32)33)21(31)27-12-17-11-20(22(24,25)26)28-30(17)16-6-4-5-15(23)10-16/h4-11,13,29H,12H2,1-3H3,(H,27,31)
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 0.400 -55.8n/an/an/an/an/an/a37



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the vanilloid receptor 1 (VR1) can also be determined using the following assa...

US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM342122
PNG
(N-((4-(3-chlorophenyl)-2-(trifluoromethyl)thiazol-...)
Show SMILES CC(C(=O)NCc1sc(nc1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(NCCO)nc1
Show InChI InChI=1S/C21H20ClF3N4O2S/c1-12(14-5-6-17(27-10-14)26-7-8-30)19(31)28-11-16-18(13-3-2-4-15(22)9-13)29-20(32-16)21(23,24)25/h2-6,9-10,12,30H,7-8,11H2,1H3,(H,26,27)(H,28,31)
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 0.400n/an/an/an/an/an/an/an/a



Medifron DBT Inc.

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions during a kinetic measurement. First the compounds to be tested (5 μM) are pipetted onto the...

US Patent US9771359 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ3984
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50553837
PNG
(CHEMBL4752231)
Show SMILES Cn1ncc2c(NC(=O)NCc3cc(nn3-c3cccc(Cl)c3)C(C)(C)C)cccc12
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 0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced Ca2+ response treated with compound 6 mins p...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127548
BindingDB Entry DOI: 10.7270/Q2VD733R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM176561
PNG
(US9120756, 23)
Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1ccc(Cl)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-3-8-18(17(23)9-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-6-4-14(22)5-7-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)/t12-/m0/s1
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 0.400n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...

US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM176556
PNG
(US9120756, 18)
Show SMILES CC(C(=O)NCc1cc(nn1-c1ccc(F)c(Cl)c1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H27ClF2N4O3S/c1-14(15-6-9-21(20(27)10-15)30-35(5,33)34)23(32)28-13-17-12-22(24(2,3)4)29-31(17)16-7-8-19(26)18(25)11-16/h6-12,14,30H,13H2,1-5H3,(H,28,32)
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 0.5 -55.2n/an/an/an/an/an/a37



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the vanilloid receptor 1 (VR1) can also be determined using the following assa...

US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50553860
PNG
(CHEMBL4745407)
Show SMILES CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(n1)-c1ccc(F)c(F)c1
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 0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced Ca2+ response treated with compound 6 mins p...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127548
BindingDB Entry DOI: 10.7270/Q2VD733R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50553861
PNG
(CHEMBL4792344)
Show SMILES CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(n1)-c1ccc(F)c(Cl)c1
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 0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced Ca2+ response treated with compound 6 mins p...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127548
BindingDB Entry DOI: 10.7270/Q2VD733R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50553868
PNG
(CHEMBL4763969)
Show SMILES Cn1ncc2c(NC(=O)NCc3cc(nn3-c3ccc(F)c(Cl)c3)C(C)(C)C)cccc12
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 0.600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced Ca2+ response treated with compound 6 mins p...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127548
BindingDB Entry DOI: 10.7270/Q2VD733R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50553862
PNG
(CHEMBL4756342)
Show SMILES Cn1ncc2c(NC(=O)NCc3cc(nn3-c3cccc(c3)C(F)(F)F)C(C)(C)C)cccc12
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 0.600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced Ca2+ response treated with compound 6 mins p...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127548
BindingDB Entry DOI: 10.7270/Q2VD733R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50553836
PNG
(CHEMBL4753881)
Show SMILES CC(C)(C)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(n1)-c1cccc(Cl)c1
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 0.600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced Ca2+ response treated with compound 6 mins p...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127548
BindingDB Entry DOI: 10.7270/Q2VD733R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM342117
PNG
(N-((2-(tert-butyl)-4-(3-chlorophenyl)thiazol-5-yl)...)
Show SMILES CC(C(=O)NCc1sc(nc1-c1cccc(Cl)c1)C(C)(C)C)c1ccc(CNS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C25H29ClFN3O3S2/c1-15(16-9-10-18(20(27)12-16)13-29-35(5,32)33)23(31)28-14-21-22(17-7-6-8-19(26)11-17)30-24(34-21)25(2,3)4/h6-12,15,29H,13-14H2,1-5H3,(H,28,31)
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 0.600n/an/an/an/an/an/an/an/a



Medifron DBT Inc.

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions during a kinetic measurement. First the compounds to be tested (5 μM) are pipetted onto the...

US Patent US9771359 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ3984
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50553843
PNG
(CHEMBL4763915)
Show SMILES Fc1ccc(cc1Cl)-n1nc(cc1CNC(=O)Nc1cccc2[nH]ncc12)C(F)(F)F
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 0.600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced Ca2+ response treated with compound 6 mins p...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127548
BindingDB Entry DOI: 10.7270/Q2VD733R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM342121
PNG
(N-((4-(3-chlorophenyl)-2-(trifluoromethyl)oxazol-5...)
Show SMILES CC(C(=O)NCc1oc(nc1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(NCCO)nc1
Show InChI InChI=1S/C21H20ClF3N4O3/c1-12(14-5-6-17(27-10-14)26-7-8-30)19(31)28-11-16-18(13-3-2-4-15(22)9-13)29-20(32-16)21(23,24)25/h2-6,9-10,12,30H,7-8,11H2,1H3,(H,26,27)(H,28,31)
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 0.700n/an/an/an/an/an/an/an/a



Medifron DBT Inc.

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions during a kinetic measurement. First the compounds to be tested (5 μM) are pipetted onto the...

US Patent US9771359 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ3984
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM352414
PNG
(N—((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES O[C@H]1CO[C@@H]2[C@@H](Cl)CN([C@H]12)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1cccnc1)C1CCCC1 |r|
Show InChI InChI=1S/C23H26ClN3O4S/c24-15-11-27(20-16(28)12-31-21(15)20)23(30)19(13-4-1-2-5-13)26-22(29)18-8-7-17(32-18)14-6-3-9-25-10-14/h3,6-10,13,15-16,19-21,28H,1-2,4-5,11-12H2,(H,26,29)/t15-,16-,19-,20+,21+/m0/s1
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 0.700n/an/an/an/an/an/an/an/a



GRÜNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL, CatB) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a...

US Patent US9802947 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM342122
PNG
(N-((4-(3-chlorophenyl)-2-(trifluoromethyl)thiazol-...)
Show SMILES CC(C(=O)NCc1sc(nc1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(NCCO)nc1
Show InChI InChI=1S/C21H20ClF3N4O2S/c1-12(14-5-6-17(27-10-14)26-7-8-30)19(31)28-11-16-18(13-3-2-4-15(22)9-13)29-20(32-16)21(23,24)25/h2-6,9-10,12,30H,7-8,11H2,1H3,(H,26,27)(H,28,31)
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 0.700n/an/an/an/an/an/an/an/a



Medifron DBT Inc.

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions during a kinetic measurement. First the compounds to be tested (5 μM) are pipetted onto the...

US Patent US9771359 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ3984
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM342119
PNG
(N-((4-(3-chlorophenyl)-2-(trifluoromethyl)thiazol-...)
Show SMILES CC(C(=O)NCc1sc(nc1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(CNS(N)(=O)=O)cc1
Show InChI InChI=1S/C21H20ClF3N4O3S2/c1-12(14-7-5-13(6-8-14)10-28-34(26,31)32)19(30)27-11-17-18(15-3-2-4-16(22)9-15)29-20(33-17)21(23,24)25/h2-9,12,28H,10-11H2,1H3,(H,27,30)(H2,26,31,32)
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 0.700n/an/an/an/an/an/an/an/a



Medifron DBT Inc.

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions during a kinetic measurement. First the compounds to be tested (5 μM) are pipetted onto the...

US Patent US9771359 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ3984
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM352420
PNG
(N—((S)-2-((3aS,6S,6aS)-6-chloro-3-oxotetrahydro-2H...)
Show SMILES Cl[C@H]1CN([C@H]2[C@@H]1OCC2=O)C(=O)[C@@H](NC(=O)c1ccc(s1)-c1ccncc1)C1CCCC1 |r|
Show InChI InChI=1S/C23H24ClN3O4S/c24-15-11-27(20-16(28)12-31-21(15)20)23(30)19(14-3-1-2-4-14)26-22(29)18-6-5-17(32-18)13-7-9-25-10-8-13/h5-10,14-15,19-21H,1-4,11-12H2,(H,26,29)/t15-,19-,20+,21+/m0/s1
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 0.800n/an/an/an/an/an/an/an/a



GRÜNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL, CatB) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a...

US Patent US9802947 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FT3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM176571
PNG
(US9120756, 40)
Show SMILES CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F)c1ccc(cc1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C27H21ClF4N4O2/c1-16(17-5-7-18(8-6-17)26(38)34-21-11-9-20(29)10-12-21)25(37)33-15-23-14-24(27(30,31)32)35-36(23)22-4-2-3-19(28)13-22/h2-14,16H,15H2,1H3,(H,33,37)(H,34,38)
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US Patent
 0.800 -54.0n/an/an/an/an/an/a37



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the vanilloid receptor 1 (VR1) can also be determined using the following assa...

US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50553833
PNG
(CHEMBL4752959)
Show SMILES FC(F)(F)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)n(n1)-c1cccc(Cl)c1
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 0.900n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced Ca2+ response treated with compound 6 mins p...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127548
BindingDB Entry DOI: 10.7270/Q2VD733R
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))		BDBM331621
PNG
(N-((S)-2-((3aS,6S,6aS)-6-chloro-3- oxotetrahydro-2...)
Show SMILES CCc1cc(ccn1)-c1ccc(s1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@@H]12
Show InChI InChI=1S/C26H30ClN3O4S/c1-2-17-12-16(10-11-28-17)20-8-9-21(35-20)25(32)29-22(15-6-4-3-5-7-15)26(33)30-13-18(27)24-23(30)19(31)14-34-24/h8-12,15,18,22-24H,2-7,13-14H2,1H3,(H,29,32)/t18-,22-,23+,24+/m0/s1
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US Patent
 1n/an/an/an/an/an/an/an/a



GRUNENTHAL GMBH

US Patent


Assay Description
Recombinant human cathepsins (CatS, CatK, CatL) were purchased from a Enzo Life Sciences. All assays were carried out in 96-well format using a buffe...

US Patent US9725459 (2017)


BindingDB Entry DOI: 10.7270/Q2JH3P8R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM125072
PNG
(US8765733, 61)
Show SMILES CC1CCN(CC1)c1nc(C)ccc1CNC(=O)Nc1ccc(CNS(N)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H29FN6O3S/c1-14-7-9-28(10-8-14)20-17(4-3-15(2)26-20)12-24-21(29)27-18-6-5-16(19(22)11-18)13-25-32(23,30)31/h3-6,11,14,25H,7-10,12-13H2,1-2H3,(H2,23,30,31)(H2,24,27,29)
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 1n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 μM) are pipetted onto the cells and the Ca2+ influx i...

US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM125070
PNG
(US8765733, 59)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1ccc(CNS(N)(=O)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C21H27F3N6O3S/c1-14-8-10-30(11-9-14)19-16(4-7-18(29-19)21(22,23)24)13-26-20(31)28-17-5-2-15(3-6-17)12-27-34(25,32)33/h2-7,14,27H,8-13H2,1H3,(H2,25,32,33)(H2,26,28,31)
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 1n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 μM) are pipetted onto the cells and the Ca2+ influx i...

US Patent US8765733 (2014)


BindingDB Entry DOI: 10.7270/Q2BZ64QQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50553867
PNG
(CHEMBL4790987)
Show SMILES Cn1ncc2c(NC(=O)NCc3cc(nn3-c3ccc(F)c(F)c3)C(C)(C)C)cccc12
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 1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced Ca2+ response treated with compound 6 mins p...

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127548
BindingDB Entry DOI: 10.7270/Q2VD733R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM342120
PNG
(N-((4-(3-chlorophenyl)-2-(trifluoromethyl)thiazol-...)
Show SMILES CC(C(=O)NCc1sc(nc1-c1cccc(Cl)c1)C(F)(F)F)c1cnc(CCS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H20ClF4N3O3S2/c1-12(14-9-16(24)17(28-10-14)6-7-35(2,32)33)20(31)29-11-18-19(13-4-3-5-15(23)8-13)30-21(34-18)22(25,26)27/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,29,31)
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US Patent
 1.10n/an/an/an/an/an/an/an/a



Medifron DBT Inc.

US Patent


Assay Description
The FLIPR protocol consists of 2 substance additions during a kinetic measurement. First the compounds to be tested (5 μM) are pipetted onto the...

US Patent US9771359 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ3984
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM176565
PNG
(US9120756, 27)
Show SMILES COc1cc(ccc1NS(C)(=O)=O)C(C)C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C
Show InChI InChI=1S/C25H31ClN4O4S/c1-16(17-10-11-21(22(12-17)34-5)29-35(6,32)33)24(31)27-15-20-14-23(25(2,3)4)28-30(20)19-9-7-8-18(26)13-19/h7-14,16,29H,15H2,1-6H3,(H,27,31)
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 1.20n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...

US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM176567
PNG
(US9120756, 29)
Show SMILES CC(C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C)c1cc(F)c(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H27ClF2N4O3S/c1-14(15-9-19(26)22(20(27)10-15)30-35(5,33)34)23(32)28-13-18-12-21(24(2,3)4)29-31(18)17-8-6-7-16(25)11-17/h6-12,14,30H,13H2,1-5H3,(H,28,32)
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US Patent
 1.20 -53.0n/an/an/an/an/an/a37



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the vanilloid receptor 1 (VR1) can also be determined using the following assa...

US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
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