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Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'fox' and Initial = 'rm'   
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 cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50502628
PNG
(CHEMBL4469630)
Show SMILES CC(C)(C)CN1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(cc34)C#N)C2)OC1=O |r|
Show InChI InChI=1S/C23H30N4O2/c1-21(2,3)13-26-15-23(29-20(26)28)9-5-8-22(4,12-23)14-27-16-25-18-7-6-17(11-24)10-19(18)27/h6-7,10,16H,5,8-9,12-15H2,1-4H3/t22-,23-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye b...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50502635
PNG
(CHEMBL4521512)
Show SMILES COc1ccccc1N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(cc34)C#N)C2)OC1=O |r|
Show InChI InChI=1S/C25H26N4O3/c1-24(15-28-17-27-19-9-8-18(13-26)12-21(19)28)10-5-11-25(14-24)16-29(23(30)32-25)20-6-3-4-7-22(20)31-2/h3-4,6-9,12,17H,5,10-11,14-16H2,1-2H3/t24-,25-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye b...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50502648
PNG
(CHEMBL4588831)
Show SMILES CC(C)(C)c1cnc(cn1)N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(cc34)C#N)C2)OC1=O |r|
Show InChI InChI=1S/C26H30N6O2/c1-24(2,3)21-12-29-22(13-28-21)32-16-26(34-23(32)33)9-5-8-25(4,14-26)15-31-17-30-19-7-6-18(11-27)10-20(19)31/h6-7,10,12-13,17H,5,8-9,14-16H2,1-4H3/t25-,26-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye b...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50502626
PNG
(CHEMBL4536058)
Show SMILES C[C@]1(Cn2cnc3ccc(cc23)C#N)CCC[C@@]2(CN(C(=O)O2)c2cnc(cn2)C2CC2)C1 |r|
Show InChI InChI=1S/C25H26N6O2/c1-24(14-30-16-29-19-6-3-17(10-26)9-21(19)30)7-2-8-25(13-24)15-31(23(32)33-25)22-12-27-20(11-28-22)18-4-5-18/h3,6,9,11-12,16,18H,2,4-5,7-8,13-15H2,1H3/t24-,25-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye b...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50502649
PNG
(CHEMBL4532369)
Show SMILES CCOc1cccc(c1)N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(cc34)C#N)C2)OC1=O |r|
Show InChI InChI=1S/C26H28N4O3/c1-3-32-21-7-4-6-20(13-21)30-17-26(33-24(30)31)11-5-10-25(2,15-26)16-29-18-28-22-9-8-19(14-27)12-23(22)29/h4,6-9,12-13,18H,3,5,10-11,15-17H2,1-2H3/t25-,26-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye b...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232815
PNG
(CHEMBL4104743)
Show SMILES CCOc1ccc2c(C(=O)NC3(CC3)c3ccccc3)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C39H43F3N4O2/c1-2-48-31-14-15-32-34(25-31)43-36(27-10-9-13-29(24-27)39(40,41)42)33(26-45-22-16-30(17-23-45)46-20-7-4-8-21-46)35(32)37(47)44-38(18-19-38)28-11-5-3-6-12-28/h3,5-6,9-15,24-25,30H,2,4,7-8,16-23,26H2,1H3,(H,44,47)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50502640
PNG
(CHEMBL4470585)
Show SMILES CC(C)(O)c1cnc(cn1)N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(cc34)C#N)C2)OC1=O |r|
Show InChI InChI=1S/C25H28N6O3/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3/t24-,25-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of rat TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye bas...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50502643
PNG
(CHEMBL4541827)
Show SMILES Cc1ccccc1N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(cc34)C#N)C2)OC1=O |r|
Show InChI InChI=1S/C25H26N4O2/c1-18-6-3-4-7-21(18)29-16-25(31-23(29)30)11-5-10-24(2,14-25)15-28-17-27-20-9-8-19(13-26)12-22(20)28/h3-4,6-9,12,17H,5,10-11,14-16H2,1-2H3/t24-,25-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye b...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50502640
PNG
(CHEMBL4470585)
Show SMILES CC(C)(O)c1cnc(cn1)N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(cc34)C#N)C2)OC1=O |r|
Show InChI InChI=1S/C25H28N6O3/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3/t24-,25-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye b...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232797
PNG
(CHEMBL4073922)
Show SMILES FC(F)(F)c1cccc(c1)-c1nc2cc(Br)ccc2c(C(=O)NC2(CC2)c2ccccc2)c1CN1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C37H38BrF3N4O/c38-28-12-13-30-32(23-28)42-34(25-8-7-11-27(22-25)37(39,40)41)31(24-44-20-14-29(15-21-44)45-18-5-2-6-19-45)33(30)35(46)43-36(16-17-36)26-9-3-1-4-10-26/h1,3-4,7-13,22-23,29H,2,5-6,14-21,24H2,(H,43,46)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232796
PNG
(CHEMBL4094483)
Show SMILES COc1ccc2c(C(=O)NC3(CC3)c3ccccc3)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C38H41F3N4O2/c1-47-30-13-14-31-33(24-30)42-35(26-9-8-12-28(23-26)38(39,40)41)32(25-44-21-15-29(16-22-44)45-19-6-3-7-20-45)34(31)36(46)43-37(17-18-37)27-10-4-2-5-11-27/h2,4-5,8-14,23-24,29H,3,6-7,15-22,25H2,1H3,(H,43,46)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232790
PNG
(CHEMBL4084542)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C36H39F3N4O/c1-25(26-11-4-2-5-12-26)40-35(44)33-30-15-6-7-16-32(30)41-34(27-13-10-14-28(23-27)36(37,38)39)31(33)24-42-21-17-29(18-22-42)43-19-8-3-9-20-43/h2,4-7,10-16,23,25,29H,3,8-9,17-22,24H2,1H3,(H,40,44)/t25-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50502653
PNG
(CHEMBL4514491)
Show SMILES C[C@]1(Cn2cnc3ccc(cc23)C#N)CCC[C@@]2(CN(C(=O)O2)c2ccccc2Cl)C1 |r|
Show InChI InChI=1S/C24H23ClN4O2/c1-23(14-28-16-27-19-8-7-17(12-26)11-21(19)28)9-4-10-24(13-23)15-29(22(30)31-24)20-6-3-2-5-18(20)25/h2-3,5-8,11,16H,4,9-10,13-15H2,1H3/t23-,24-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye b...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232804
PNG
(CHEMBL4087716)
Show SMILES FC(F)(F)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C36H36F6N4O/c37-35(38,39)26-13-9-12-25(22-26)32-29(23-45-20-16-27(17-21-45)46-18-7-2-8-19-46)31(28-14-5-6-15-30(28)43-32)34(47)44-33(36(40,41)42)24-10-3-1-4-11-24/h1,3-6,9-15,22,27,33H,2,7-8,16-21,23H2,(H,44,47)/t33-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232813
PNG
(CHEMBL4097859)
Show SMILES FC(F)(F)c1cccc(c1)-c1nc2ccccc2c(C(=O)NC2(CC2)c2ccccc2)c1CN1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C37H39F3N4O/c38-37(39,40)28-13-9-10-26(24-28)34-31(25-43-22-16-29(17-23-43)44-20-7-2-8-21-44)33(30-14-5-6-15-32(30)41-34)35(45)42-36(18-19-36)27-11-3-1-4-12-27/h1,3-6,9-15,24,29H,2,7-8,16-23,25H2,(H,42,45)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232800
PNG
(CHEMBL4103166)
Show SMILES FC(F)(F)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccc(Br)cc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C36H35BrF6N4O/c37-26-12-13-30-28(21-26)31(34(48)45-33(36(41,42)43)23-8-3-1-4-9-23)29(32(44-30)24-10-7-11-25(20-24)35(38,39)40)22-46-18-14-27(15-19-46)47-16-5-2-6-17-47/h1,3-4,7-13,20-21,27,33H,2,5-6,14-19,22H2,(H,45,48)/t33-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50502636
PNG
(CHEMBL4588158)
Show SMILES CCOc1ccc(cn1)N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(cc34)C#N)C2)OC1=O |r|
Show InChI InChI=1S/C25H27N5O3/c1-3-32-22-8-6-19(13-27-22)30-16-25(33-23(30)31)10-4-9-24(2,14-25)15-29-17-28-20-7-5-18(12-26)11-21(20)29/h5-8,11,13,17H,3-4,9-10,14-16H2,1-2H3/t24-,25-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye b...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232803
PNG
(CHEMBL4068023)
Show SMILES CCOc1ccc2c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C38H40F6N4O2/c1-2-50-29-14-15-30-32(23-29)45-34(26-12-9-13-27(22-26)37(39,40)41)31(24-47-20-16-28(17-21-47)48-18-7-4-8-19-48)33(30)36(49)46-35(38(42,43)44)25-10-5-3-6-11-25/h3,5-6,9-15,22-23,28,35H,2,4,7-8,16-21,24H2,1H3,(H,46,49)/t35-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232799
PNG
(CHEMBL4078886)
Show SMILES FC(F)(F)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2cc(Br)ccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C36H35BrF6N4O/c37-26-12-13-28-30(21-26)44-32(24-10-7-11-25(20-24)35(38,39)40)29(22-46-18-14-27(15-19-46)47-16-5-2-6-17-47)31(28)34(48)45-33(36(41,42)43)23-8-3-1-4-9-23/h1,3-4,7-13,20-21,27,33H,2,5-6,14-19,22H2,(H,45,48)/t33-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232809
PNG
(CHEMBL4065154)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCOCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C35H37F3N4O2/c1-24(25-8-3-2-4-9-25)39-34(43)32-29-12-5-6-13-31(29)40-33(26-10-7-11-27(22-26)35(36,37)38)30(32)23-41-16-14-28(15-17-41)42-18-20-44-21-19-42/h2-13,22,24,28H,14-21,23H2,1H3,(H,39,43)/t24-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232798
PNG
(CHEMBL4095413)
Show SMILES COc1ccc2c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C37H38F6N4O2/c1-49-28-13-14-29-31(22-28)44-33(25-11-8-12-26(21-25)36(38,39)40)30(23-46-19-15-27(16-20-46)47-17-6-3-7-18-47)32(29)35(48)45-34(37(41,42)43)24-9-4-2-5-10-24/h2,4-5,8-14,21-22,27,34H,3,6-7,15-20,23H2,1H3,(H,45,48)/t34-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50502637
PNG
(CHEMBL4469982)
Show SMILES CCOc1cnc(cn1)N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(cc34)C#N)C2)OC1=O |r|
Show InChI InChI=1S/C24H26N6O3/c1-3-32-21-12-26-20(11-27-21)30-15-24(33-22(30)31)8-4-7-23(2,13-24)14-29-16-28-18-6-5-17(10-25)9-19(18)29/h5-6,9,11-12,16H,3-4,7-8,13-15H2,1-2H3/t23-,24-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye b...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50502642
PNG
(CHEMBL4560266)
Show SMILES C[C@]1(Cn2cnc3ccc(cc23)C#N)CCC[C@@]2(CN(C(=O)O2)c2ccccc2F)C1 |r|
Show InChI InChI=1S/C24H23FN4O2/c1-23(14-28-16-27-19-8-7-17(12-26)11-21(19)28)9-4-10-24(13-23)15-29(22(30)31-24)20-6-3-2-5-18(20)25/h2-3,5-8,11,16H,4,9-10,13-15H2,1H3/t23-,24-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye b...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50502646
PNG
(CHEMBL4579838)
Show SMILES CCOc1ccc(cc1)N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(cc34)C#N)C2)OC1=O |r|
Show InChI InChI=1S/C26H28N4O3/c1-3-32-21-8-6-20(7-9-21)30-17-26(33-24(30)31)12-4-11-25(2,15-26)16-29-18-28-22-10-5-19(14-27)13-23(22)29/h5-10,13,18H,3-4,11-12,15-17H2,1-2H3/t25-,26-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye b...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50502650
PNG
(CHEMBL4549613)
Show SMILES CC(C)(C)CN1C[C@@]2(CCC[C@H](Cn3cnc4ccc(cc34)C#N)C2)OC1=O |r|
Show InChI InChI=1S/C22H28N4O2/c1-21(2,3)13-26-14-22(28-20(26)27)8-4-5-17(10-22)12-25-15-24-18-7-6-16(11-23)9-19(18)25/h6-7,9,15,17H,4-5,8,10,12-14H2,1-3H3/t17-,22-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of rat TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye bas...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232805
PNG
(CHEMBL4069979)
Show SMILES CC[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C37H41F3N4O/c1-2-32(26-12-5-3-6-13-26)42-36(45)34-30-16-7-8-17-33(30)41-35(27-14-11-15-28(24-27)37(38,39)40)31(34)25-43-22-18-29(19-23-43)44-20-9-4-10-21-44/h3,5-8,11-17,24,29,32H,2,4,9-10,18-23,25H2,1H3,(H,42,45)/t32-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232802
PNG
(CHEMBL4105593)
Show SMILES FC(F)(F)[C@@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C36H36F6N4O/c37-35(38,39)26-13-9-12-25(22-26)32-29(23-45-20-16-27(17-21-45)46-18-7-2-8-19-46)31(28-14-5-6-15-30(28)43-32)34(47)44-33(36(40,41)42)24-10-3-1-4-11-24/h1,3-6,9-15,22,27,33H,2,7-8,16-21,23H2,(H,44,47)/t33-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50232795
PNG
(CHEMBL4092276)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C35H40N4O/c1-26(27-13-5-2-6-14-27)36-35(40)33-30-17-9-10-18-32(30)37-34(28-15-7-3-8-16-28)31(33)25-38-23-19-29(20-24-38)39-21-11-4-12-22-39/h2-3,5-10,13-18,26,29H,4,11-12,19-25H2,1H3,(H,36,40)/t26-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of NK3 receptor (unknown origin) by FLIPR assay


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232791
PNG
(CHEMBL4062863)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(Cl)c1)c1ccccc1 |r|
Show InChI InChI=1S/C35H39ClN4O/c1-25(26-11-4-2-5-12-26)37-35(41)33-30-15-6-7-16-32(30)38-34(27-13-10-14-28(36)23-27)31(33)24-39-21-17-29(18-22-39)40-19-8-3-9-20-40/h2,4-7,10-16,23,25,29H,3,8-9,17-22,24H2,1H3,(H,37,41)/t25-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50232803
PNG
(CHEMBL4068023)
Show SMILES CCOc1ccc2c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C38H40F6N4O2/c1-2-50-29-14-15-30-32(23-29)45-34(26-12-9-13-27(22-26)37(39,40)41)31(24-47-20-16-28(17-21-47)48-18-7-4-8-19-48)33(30)36(49)46-35(38(42,43)44)25-10-5-3-6-11-25/h3,5-6,9-15,22-23,28,35H,2,4,7-8,16-21,24H2,1H3,(H,46,49)/t35-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232811
PNG
(CHEMBL4105323)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(C)c1)c1ccccc1 |r|
Show InChI InChI=1S/C36H42N4O/c1-26-12-11-15-29(24-26)35-32(25-39-22-18-30(19-23-39)40-20-9-4-10-21-40)34(31-16-7-8-17-33(31)38-35)36(41)37-27(2)28-13-5-3-6-14-28/h3,5-8,11-17,24,27,30H,4,9-10,18-23,25H2,1-2H3,(H,37,41)/t27-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50502638
PNG
(CHEMBL4447221)
Show SMILES COc1cnc(cn1)N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(cc34)C#N)C2)OC1=O |r|
Show InChI InChI=1S/C23H24N6O3/c1-22(13-28-15-27-17-5-4-16(9-24)8-18(17)28)6-3-7-23(12-22)14-29(21(30)32-23)19-10-26-20(31-2)11-25-19/h4-5,8,10-11,15H,3,6-7,12-14H2,1-2H3/t22-,23-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye b...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50502650
PNG
(CHEMBL4549613)
Show SMILES CC(C)(C)CN1C[C@@]2(CCC[C@H](Cn3cnc4ccc(cc34)C#N)C2)OC1=O |r|
Show InChI InChI=1S/C22H28N4O2/c1-21(2,3)13-26-14-22(28-20(26)27)8-4-5-17(10-22)12-25-15-24-18-7-6-16(11-23)9-19(18)25/h6-7,9,15,17H,4-5,8,10,12-14H2,1-3H3/t17-,22-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye b...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232793
PNG
(CHEMBL4100026)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C36H39F3N4O/c1-25(26-10-4-2-5-11-26)40-35(44)33-30-12-6-7-13-32(30)41-34(27-14-16-28(17-15-27)36(37,38)39)31(33)24-42-22-18-29(19-23-42)43-20-8-3-9-21-43/h2,4-7,10-17,25,29H,3,8-9,18-24H2,1H3,(H,40,44)/t25-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232794
PNG
(CHEMBL4082016)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C35H39ClN4O/c1-25(26-10-4-2-5-11-26)37-35(41)33-30-12-6-7-13-32(30)38-34(27-14-16-28(36)17-15-27)31(33)24-39-22-18-29(19-23-39)40-20-8-3-9-21-40/h2,4-7,10-17,25,29H,3,8-9,18-24H2,1H3,(H,37,41)/t25-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Mus musculus)
BDBM50192821
PNG
(CHEMBL2133556)
Show SMILES Cc1c(cc(-c2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H28F3N3O2/c1-19-23(25(33)30-22-10-5-9-21(17-22)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,33)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at mouse TRPV4 expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-induced current at holding potential of -40 mV by W...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232816
PNG
(CHEMBL4097174)
Show SMILES CC(C)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C38H43F3N4O/c1-26(2)35(27-12-5-3-6-13-27)43-37(46)34-31-16-7-8-17-33(31)42-36(28-14-11-15-29(24-28)38(39,40)41)32(34)25-44-22-18-30(19-23-44)45-20-9-4-10-21-45/h3,5-8,11-17,24,26,30,35H,4,9-10,18-23,25H2,1-2H3,(H,43,46)/t35-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50232804
PNG
(CHEMBL4087716)
Show SMILES FC(F)(F)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C36H36F6N4O/c37-35(38,39)26-13-9-12-25(22-26)32-29(23-45-20-16-27(17-21-45)46-18-7-2-8-19-46)31(28-14-5-6-15-30(28)43-32)34(47)44-33(36(40,41)42)24-10-3-1-4-11-24/h1,3-6,9-15,22,27,33H,2,7-8,16-21,23H2,(H,44,47)/t33-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232801
PNG
(CHEMBL4079837)
Show SMILES CC(C)(NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C37H41F3N4O/c1-36(2,27-13-5-3-6-14-27)42-35(45)33-30-16-7-8-17-32(30)41-34(26-12-11-15-28(24-26)37(38,39)40)31(33)25-43-22-18-29(19-23-43)44-20-9-4-10-21-44/h3,5-8,11-17,24,29H,4,9-10,18-23,25H2,1-2H3,(H,42,45)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50232797
PNG
(CHEMBL4073922)
Show SMILES FC(F)(F)c1cccc(c1)-c1nc2cc(Br)ccc2c(C(=O)NC2(CC2)c2ccccc2)c1CN1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C37H38BrF3N4O/c38-28-12-13-30-32(23-28)42-34(25-8-7-11-27(22-25)37(39,40)41)31(24-44-20-14-29(15-21-44)45-18-5-2-6-19-45)33(30)35(46)43-36(16-17-36)26-9-3-1-4-10-26/h1,3-4,7-13,22-23,29H,2,5-6,14-21,24H2,(H,43,46)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50502652
PNG
(CHEMBL4465488)
Show SMILES C[C@]1(Cn2cnc3ccc(cc23)C#N)CCC[C@@]2(CN(C(=O)O2)c2cccc(Cl)c2)C1 |r|
Show InChI InChI=1S/C24H23ClN4O2/c1-23(14-28-16-27-20-7-6-17(12-26)10-21(20)28)8-3-9-24(13-23)15-29(22(30)31-24)19-5-2-4-18(25)11-19/h2,4-7,10-11,16H,3,8-9,13-15H2,1H3/t23-,24-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye b...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192821
PNG
(CHEMBL2133556)
Show SMILES Cc1c(cc(-c2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H28F3N3O2/c1-19-23(25(33)30-22-10-5-9-21(17-22)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,33)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of 4alpha-PDD-induced current at holding potential of -40 mV by W...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50502641
PNG
(CHEMBL4544597)
Show SMILES C[C@]1(Cn2cnc3ccc(cc23)C#N)CCC[C@@]2(CNC(=O)O2)C1 |r|
Show InChI InChI=1S/C18H20N4O2/c1-17(5-2-6-18(9-17)10-20-16(23)24-18)11-22-12-21-14-4-3-13(8-19)7-15(14)22/h3-4,7,12H,2,5-6,9-11H2,1H3,(H,20,23)/t17-,18-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye b...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Rattus norvegicus)
BDBM50232806
PNG
(CHEMBL4072053)
Show SMILES FC(F)(F)c1cccc(c1)-c1nc2ccccc2c(C(=O)NCc2ccccc2)c1CN1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C35H37F3N4O/c36-35(37,38)27-13-9-12-26(22-27)33-30(24-41-20-16-28(17-21-41)42-18-7-2-8-19-42)32(29-14-5-6-15-31(29)40-33)34(43)39-23-25-10-3-1-4-11-25/h1,3-6,9-15,22,28H,2,7-8,16-21,23-24H2,(H,39,43)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins follo...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50232809
PNG
(CHEMBL4065154)
Show SMILES C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCOCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C35H37F3N4O2/c1-24(25-8-3-2-4-9-25)39-34(43)32-29-12-5-6-13-31(29)40-33(26-10-7-11-27(22-26)35(36,37)38)30(32)23-41-16-14-28(15-17-41)42-18-20-44-21-19-42/h2-13,22,24,28H,14-21,23H2,1H3,(H,39,43)/t24-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50232813
PNG
(CHEMBL4097859)
Show SMILES FC(F)(F)c1cccc(c1)-c1nc2ccccc2c(C(=O)NC2(CC2)c2ccccc2)c1CN1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C37H39F3N4O/c38-37(39,40)28-13-9-10-26(24-28)34-31(25-43-22-16-29(17-23-43)44-20-7-2-8-21-44)33(30-14-5-6-15-32(30)41-34)35(45)42-36(18-19-36)27-11-3-1-4-12-27/h1,3-6,9-15,24,29H,2,7-8,16-23,25H2,(H,42,45)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50232798
PNG
(CHEMBL4095413)
Show SMILES COc1ccc2c(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c(CN3CCC(CC3)N3CCCCC3)c(nc2c1)-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C37H38F6N4O2/c1-49-28-13-14-29-31(22-28)44-33(25-11-8-12-26(21-25)36(38,39)40)30(23-46-19-15-27(16-20-46)47-17-6-3-7-18-47)32(29)35(48)45-34(37(41,42)43)24-9-4-2-5-10-24/h2,4-5,8-14,21-22,27,34H,3,6-7,15-20,23H2,1H3,(H,45,48)/t34-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50232799
PNG
(CHEMBL4078886)
Show SMILES FC(F)(F)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2cc(Br)ccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C36H35BrF6N4O/c37-26-12-13-28-30(21-26)44-32(24-10-7-11-25(20-24)35(38,39)40)29(22-46-18-14-27(15-19-46)47-16-5-2-6-17-47)31(28)34(48)45-33(36(41,42)43)23-8-3-1-4-9-23/h1,3-4,7-13,20-21,27,33H,2,5-6,14-19,22H2,(H,45,48)/t33-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50232800
PNG
(CHEMBL4103166)
Show SMILES FC(F)(F)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccc(Br)cc12)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C36H35BrF6N4O/c37-26-12-13-30-28(21-26)31(34(48)45-33(36(41,42)43)23-8-3-1-4-9-23)29(32(44-30)24-10-7-11-25(20-24)35(38,39)40)22-46-18-14-27(15-19-46)47-16-5-2-6-17-47/h1,3-4,7-13,20-21,27,33H,2,5-6,14-19,22H2,(H,45,48)/t33-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 expressed in HEK293 cells assessed as inhibition of GSK634775A-induced calcium influx preincubated for 10 mins fol...


ACS Med Chem Lett 8: 549-554 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00094
BindingDB Entry DOI: 10.7270/Q2HD7XWW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50502639
PNG
(CHEMBL4447940)
Show SMILES Cc1cnc(cn1)N1C[C@@]2(CCC[C@](C)(Cn3cnc4ccc(cc34)C#N)C2)OC1=O |r|
Show InChI InChI=1S/C23H24N6O2/c1-16-10-26-20(11-25-16)29-14-23(31-21(29)30)7-3-6-22(2,12-23)13-28-15-27-18-5-4-17(9-24)8-19(18)28/h4-5,8,10-11,15H,3,6-7,12-14H2,1-2H3/t22-,23-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-incubated for 10 mins followed by GSK634775A addition by Fura-2 dye b...


ACS Med Chem Lett 10: 1228-1233 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00274
BindingDB Entry DOI: 10.7270/Q2RX9GBF
More data for this
Ligand-Target Pair
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