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Compile Data Set for Download or QSAR

Found 266 hits with Last Name = 'brooks' and Initial = 'ca'   
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))
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))
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))
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


(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


(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)
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
Antagonist activity at human TRPV4


J Med Chem 62: 9270-9280 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01247
BindingDB Entry DOI: 10.7270/Q2N30173
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
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


(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


(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


(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)
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)
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


(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)
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 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)
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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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))
BDBM50505550
PNG
(CHEMBL4439190 | US11260049, Ex. 2)
Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r|
Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-2-4-14(5-3-13)29(25,26)17-9-22(10-18(17,24)11-23)30(27,28)16-6-1-12(8-21)7-15(16)20/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4


J Med Chem 62: 9270-9280 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01247
BindingDB Entry DOI: 10.7270/Q2N30173
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50505551
PNG
(CHEMBL4517101)
Show SMILES NC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C18H16Cl2FN3O4S/c19-12-2-4-16(14(20)5-12)29(26,27)24-8-17(18(25,9-23)10-24)28-13-3-1-11(7-22)15(21)6-13/h1-6,17,25H,8-10,23H2/t17-,18-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at BacMam virus expressing human TRPV4 transduced in BHK/AC9 or HEK MSR2 cells assessed as inhibition of GSK634775-induced Ca2+ f...


J Med Chem 62: 9270-9280 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01247
BindingDB Entry DOI: 10.7270/Q2N30173
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50505543
PNG
(CHEMBL4454801)
Show SMILES OC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccccc1C#N |r|
Show InChI InChI=1S/C19H16FN3O5S/c20-16-7-15(6-5-13(16)8-21)28-18-10-23(11-19(18,25)12-24)29(26,27)17-4-2-1-3-14(17)9-22/h1-7,18,24-25H,10-12H2/t18-,19+/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at BacMam virus expressing human TRPV4 transduced in BHK/AC9 or HEK MSR2 cells assessed as inhibition of GSK634775-induced Ca2+ f...


J Med Chem 62: 9270-9280 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01247
BindingDB Entry DOI: 10.7270/Q2N30173
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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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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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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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))
BDBM539981
PNG
(3-chloro-4-(((3R,4S)-4-((5-chloropyridin-2-yl)sulf...)
Show SMILES C[C@H](O)[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r|
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TBA

Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50505546
PNG
(CHEMBL4533534 | US11260049, Ex. 82)
Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C18H16Cl2N2O6S2/c19-13-3-6-16(15(20)7-13)30(27,28)22-9-17(18(24,10-22)11-23)29(25,26)14-4-1-12(8-21)2-5-14/h1-7,17,23-24H,9-11H2/t17-,18+/m0/s1
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TBA

Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM436099
PNG
(4-(((3S,4R)-1-((2,4-dichlorophenyl)sulfonyl)-4-hyd...)
Show SMILES OC[C@]1(O)CN(C[C@@H]1Cc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C19H17Cl2FN2O4S/c20-15-3-4-18(16(21)7-15)29(27,28)24-9-14(19(26,10-24)11-25)5-12-1-2-13(8-23)17(22)6-12/h1-4,6-7,14,25-26H,5,9-11H2/t14-,19+/m0/s1
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GlaxoSmithKline Intellectual Property Development Limited

US Patent


Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


US Patent US10590077 (2020)


BindingDB Entry DOI: 10.7270/Q2XK8JJP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM436104
PNG
(4-(((3S,4R)-1- ((2-cyano-4- (trifluoromethyl) phen...)
Show SMILES OC[C@]1(O)CN(C[C@@H]1Cc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(cc1C#N)C(F)(F)F |r|
Show InChI InChI=1S/C21H17F4N3O4S/c22-18-6-13(1-2-14(18)8-26)5-17-10-28(11-20(17,30)12-29)33(31,32)19-4-3-16(21(23,24)25)7-15(19)9-27/h1-4,6-7,17,29-30H,5,10-12H2/t17-,20+/m0/s1
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GlaxoSmithKline Intellectual Property Development Limited

US Patent


Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


US Patent US10590077 (2020)


BindingDB Entry DOI: 10.7270/Q2XK8JJP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM436105
PNG
(4-(((3S,4R)-1- ((2-chloro-4- cyanophenyl) sulfonyl...)
Show SMILES OC[C@]1(O)CN(C[C@@H]1Cc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(cc1Cl)C#N |r|
Show InChI InChI=1S/C20H17ClFN3O4S/c21-17-6-14(8-23)2-4-19(17)30(28,29)25-10-16(20(27,11-25)12-26)5-13-1-3-15(9-24)18(22)7-13/h1-4,6-7,16,26-27H,5,10-12H2/t16-,20+/m0/s1
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GlaxoSmithKline Intellectual Property Development Limited

US Patent


Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


US Patent US10590077 (2020)


BindingDB Entry DOI: 10.7270/Q2XK8JJP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM436106
PNG
(4-(((3S,4S)-4-(aminomethyl)-1-((5-chloropyridin-2-...)
Show SMILES NC[C@]1(O)CN(C[C@@H]1Cc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C18H18ClFN4O3S/c19-15-3-4-17(23-8-15)28(26,27)24-9-14(18(25,10-22)11-24)5-12-1-2-13(7-21)16(20)6-12/h1-4,6,8,14,25H,5,9-11,22H2/t14-,18-/m0/s1
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GlaxoSmithKline Intellectual Property Development Limited

US Patent


Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


US Patent US10590077 (2020)


BindingDB Entry DOI: 10.7270/Q2XK8JJP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM539910
PNG
(4-(((3R,4S)-4- ((4-chloro- phenyl)sulfonyl)- 3-hyd...)
Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1C(F)F)C#N |r|
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TBA

Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM539937
PNG
(4-(((3S,4S)-1- ((2,4- dichlorophenyl) sulfonyl)-4-...)
Show SMILES OC[C@@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r|
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TBA

Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM539932
PNG
(4-(((3S,4R)-1- ((4-cyano-2-methyl- phenyl)sulfonyl...)
Show SMILES Cc1cc(ccc1S(=O)(=O)N1C[C@@H]([C@](O)(CO)C1)S(=O)(=O)c1ccc(C#N)c(F)c1)C#N |r|
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TBA

Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM539936
PNG
(4-(((3R,4S)-4-((4-bromophenyl)sulfonyl)-3-hydroxy-...)
Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Br)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r|
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TBA

Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50521195
PNG
(CHEMBL4586959 | US11260049, Ex. 84)
Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(Cl)cc1C#N |r|
Show InChI InChI=1S/C19H16ClN3O6S2/c20-15-3-6-17(14(7-15)9-22)31(28,29)23-10-18(19(25,11-23)12-24)30(26,27)16-4-1-13(8-21)2-5-16/h1-7,18,24-25H,10-12H2/t18-,19+/m0/s1
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Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM539949
PNG
(4-(((3S,4R)-1- ((2,4- dichlorophenyl) sulfonyl)-4-...)
Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1cc(F)c(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r|
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Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM539881
PNG
(4-(((3R,4S)-4- ((4-chloro- phenyl)sulfonyl)- 3-hyd...)
Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1C(F)(F)F)C#N |r|
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Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM539887
PNG
(4-(((3S,4R)-1- ((4-chloro-2- (trifluoromethyl) phe...)
Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F |r|
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Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM539891
PNG
(4-(((3S,4R)-1- ((4-fluoro-2- (trifluoromethyl) phe...)
Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(F)cc1C(F)(F)F |r|
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Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM539892
PNG
(4-(((3S,4R)-1- ((4-bromo-2- (trifluoromethyl) phen...)
Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F |r|
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Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM539896
PNG
(4-(((3S,4R)-1- ((4-bromo-2- chlorophenyl)sulfonyl)...)
Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(Br)cc1Cl |r|
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Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM539897
PNG
(4-(((3R,4S)-4- ((4-chloro- phenyl)sulfonyl)- 3-hyd...)
Show SMILES OCc1cc(ccc1S(=O)(=O)N1C[C@@H]([C@](O)(CO)C1)S(=O)(=O)c1ccc(Cl)cc1)C#N |r|
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Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM539900
PNG
(3-bromo-4- (((3R,4S)-4-((4- chlorophenyl)sulfonyl)...)
Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Br)C#N |r|
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Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50521186
PNG
(CHEMBL4547101 | US11260049, Ex. 45)
Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(cc1)C#N)S(=O)(=O)c1ccc(cc1Cl)C#N |r|
Show InChI InChI=1S/C19H16ClN3O6S2/c20-16-7-14(9-22)3-6-17(16)31(28,29)23-10-18(19(25,11-23)12-24)30(26,27)15-4-1-13(8-21)2-5-15/h1-7,18,24-25H,10-12H2/t18-,19+/m0/s1
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TBA

Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM539975
PNG
(4-(((3R,4S)-4-((5- bromopyridin-2- yl)sulfonyl)-3-...)
Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Br)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r|
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Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM539979
PNG
(2-(((3R,4S)-4-((4- chlorophenyl) sulfonyl)-3- hydr...)
Show SMILES OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1C#N)C(F)(F)F |r|
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TBA

Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM539982
PNG
(3-chloro-4-(((3R,4S)-4-((5-chloropyridin-2-yl)sulf...)
Show SMILES C[C@@H](O)[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r|
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Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM539984
PNG
(4-(((3R,4S)-3- (aminomethyl)-4- ((4-chlorophenyl) ...)
Show SMILES NC[C@@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r|
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TBA

Assay Description
TRPV4 channel activation results in an influx of divalent and monovalent cations including calcium. The resulting changes in intracellular calcium we...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2B85C9Z
More data for this
Ligand-Target Pair
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