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Patent code US9233947

Compile Data Set for Download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM209011
PNG
(Piperidine-1-sulfonic acid (3-methyl-benzo[b]thiop...)
Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(COC(F)(F)F)cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C23H25F3N2O3S2/c1-17-20-7-3-4-8-21(20)32-22(17)28(33(29,30)27-13-5-2-6-14-27)15-18-9-11-19(12-10-18)16-31-23(24,25)26/h3-4,7-12H,2,5-6,13-16H2,1H3
PDB

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UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 3.60n/an/an/an/an/a37



Janssen Pharmaceutica, NV

US Patent


Assay Description
The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...

US Patent US9233947 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36PK
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM209017
PNG
(1-[(3-Methyl-benzo[b]thiophen-2-yl)-(4-trifluorome...)
Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C23H23F3N2O5S2/c1-15-19-4-2-3-5-20(19)34-21(15)28(14-16-6-8-18(9-7-16)33-23(24,25)26)35(31,32)27-12-10-17(11-13-27)22(29)30/h2-9,17H,10-14H2,1H3,(H,29,30)
PDB

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UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/a 4.60n/an/an/an/an/a37



Janssen Pharmaceutica, NV

US Patent


Assay Description
The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...

US Patent US9233947 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36PK
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM209012
PNG
(Morpholine-1-sulfonic acid (3-methyl-benzo[b]thiop...)
Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H21F3N2O4S2/c1-15-18-4-2-3-5-19(18)31-20(15)26(32(27,28)25-10-12-29-13-11-25)14-16-6-8-17(9-7-16)30-21(22,23)24/h2-9H,10-14H2,1H3
PDB

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UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 5.70n/an/an/an/an/a37



Janssen Pharmaceutica, NV

US Patent


Assay Description
The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...

US Patent US9233947 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36PK
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM209021
PNG
(N-(3-Bromo-benzo[b]thiophen-2-yl)-N-(4-fluoro-3-tr...)
Show SMILES OC(=O)CCCCNS(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1Br
Show InChI InChI=1S/C21H19BrF4N2O4S2/c22-19-14-5-1-2-6-17(14)33-20(19)28(34(31,32)27-10-4-3-7-18(29)30)12-13-8-9-16(23)15(11-13)21(24,25)26/h1-2,5-6,8-9,11,27H,3-4,7,10,12H2,(H,29,30)
PDB

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US Patent
n/an/a 8.5n/an/an/an/an/a37



Janssen Pharmaceutica, NV

US Patent


Assay Description
The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...

US Patent US9233947 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36PK
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM209022
PNG
(4-(2,2,2-Trifluoro-ethyl)-piperazine-1-sulfonic ac...)
Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)N1CCN(CC(F)(F)F)CC1
Show InChI InChI=1S/C23H23F6N3O3S2/c1-16-19-4-2-3-5-20(19)36-21(16)32(14-17-6-8-18(9-7-17)35-23(27,28)29)37(33,34)31-12-10-30(11-13-31)15-22(24,25)26/h2-9H,10-15H2,1H3
PDB

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UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 13n/an/an/an/an/a37



Janssen Pharmaceutica, NV

US Patent


Assay Description
The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...

US Patent US9233947 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36PK
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM209020
PNG
(N-(3-Bromo-benzo[b]thiophen-2-yl)-N-(4-fluoro-3-tr...)
Show SMILES OC(=O)CCCNS(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1Br
Show InChI InChI=1S/C20H17BrF4N2O4S2/c21-18-13-4-1-2-5-16(13)32-19(18)27(33(30,31)26-9-3-6-17(28)29)11-12-7-8-15(22)14(10-12)20(23,24)25/h1-2,4-5,7-8,10,26H,3,6,9,11H2,(H,28,29)
PDB

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UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 18n/an/an/an/an/a37



Janssen Pharmaceutica, NV

US Patent


Assay Description
The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...

US Patent US9233947 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36PK
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM209015
PNG
(4-Methyl-piperazine-1-sulfonic acid (3-methyl-benz...)
Show SMILES CN1CCN(CC1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1sc2ccccc2c1C
Show InChI InChI=1S/C22H24F3N3O3S2/c1-16-19-5-3-4-6-20(19)32-21(16)28(33(29,30)27-13-11-26(2)12-14-27)15-17-7-9-18(10-8-17)31-22(23,24)25/h3-10H,11-15H2,1-2H3
PDB

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UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 46n/an/an/an/an/a37



Janssen Pharmaceutica, NV

US Patent


Assay Description
The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...

US Patent US9233947 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36PK
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM209013
PNG
(4-Isopropyl-piperazine-1-sulfonic acid (3-methyl-b...)
Show SMILES CC(C)N1CCN(CC1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1sc2ccccc2c1C
Show InChI InChI=1S/C24H28F3N3O3S2/c1-17(2)28-12-14-29(15-13-28)35(31,32)30(23-18(3)21-6-4-5-7-22(21)34-23)16-19-8-10-20(11-9-19)33-24(25,26)27/h4-11,17H,12-16H2,1-3H3
PDB

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US Patent
n/an/a 60n/an/an/an/an/a37



Janssen Pharmaceutica, NV

US Patent


Assay Description
The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...

US Patent US9233947 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36PK
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM209018
PNG
(1-[(3-Methyl-benzo[b]thiophen-2-yl)-(4-trifluorome...)
Show SMILES CN(C)CCNC(=O)C1CCN(CC1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1sc2ccccc2c1C
Show InChI InChI=1S/C27H33F3N4O4S2/c1-19-23-6-4-5-7-24(23)39-26(19)34(18-20-8-10-22(11-9-20)38-27(28,29)30)40(36,37)33-15-12-21(13-16-33)25(35)31-14-17-32(2)3/h4-11,21H,12-18H2,1-3H3,(H,31,35)
PDB

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UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 61n/an/an/an/an/a37



Janssen Pharmaceutica, NV

US Patent


Assay Description
The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...

US Patent US9233947 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36PK
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM209019
PNG
(N-(4-Fluoro-3-trifluoromethyl-benzyl)-N-(3-methyl-...)
Show SMILES Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)NCCCC(O)=O
Show InChI InChI=1S/C21H20F4N2O4S2/c1-13-15-5-2-3-6-18(15)32-20(13)27(33(30,31)26-10-4-7-19(28)29)12-14-8-9-17(22)16(11-14)21(23,24)25/h2-3,5-6,8-9,11,26H,4,7,10,12H2,1H3,(H,28,29)
PDB

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UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 62n/an/an/an/an/a37



Janssen Pharmaceutica, NV

US Patent


Assay Description
The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...

US Patent US9233947 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36PK
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM209014
PNG
(4-(3-Methyl-butyl)-piperazine-1-sulfonic acid (3-m...)
Show SMILES CC(C)CCN1CCN(CC1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1sc2ccccc2c1C
Show InChI InChI=1S/C26H32F3N3O3S2/c1-19(2)12-13-30-14-16-31(17-15-30)37(33,34)32(25-20(3)23-6-4-5-7-24(23)36-25)18-21-8-10-22(11-9-21)35-26(27,28)29/h4-11,19H,12-18H2,1-3H3
PDB

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UniProtKB/TrEMBL

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US Patent
n/an/a 71n/an/an/an/an/a37



Janssen Pharmaceutica, NV

US Patent


Assay Description
The functional activity of compounds of the formula (I) was determined by measuring changes in intracellular calcium concentration using a Ca2+-sensi...

US Patent US9233947 (2016)


BindingDB Entry DOI: 10.7270/Q2RN36PK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%