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Compile Data Set for Download or QSAR

Found 302 hits with Last Name = 'yamaguchi' and Initial = 'h'   
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
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50143890
PNG
(2-(4-Benzyl-piperidin-1-ylmethyl)-3H-benzoimidazol...)
Show SMILES Oc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1
Show InChI InChI=1S/C20H23N3O/c24-17-6-7-18-19(13-17)22-20(21-18)14-23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16,24H,8-12,14H2,(H,21,22)
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1.5n/an/an/an/an/an/an/an/a



Hamamatsu University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]-(E)-N1-(2-methoxybenzyl)cinnamamidine from human NR1a/NR2b receptor expressed in mouse Ltk cells


Bioorg Med Chem 18: 7497-506 (2010)


Article DOI: 10.1016/j.bmc.2010.08.053
BindingDB Entry DOI: 10.7270/Q2MS3T06
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50038047
PNG
(2-(9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyri...)
Show SMILES Brc1cc2CCC(CC(=O)Nc3ccccc3)n3c2c(c1)[nH]c(=O)c3=O
Show InChI InChI=1S/C19H16BrN3O3/c20-12-8-11-6-7-14(10-16(24)21-13-4-2-1-3-5-13)23-17(11)15(9-12)22-18(25)19(23)26/h1-5,8-9,14H,6-7,10H2,(H,21,24)(H,22,25)
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50284808
PNG
(2-((5R,6S)-9-Bromo-6-methyl-2,3-dioxo-2,3,6,7-tetr...)
Show SMILES C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(=O)Nc1ccccc1)c23
Show InChI InChI=1S/C20H18BrN3O3/c1-11-7-12-8-13(21)9-15-18(12)24(20(27)19(26)23-15)16(11)10-17(25)22-14-5-3-2-4-6-14/h2-6,8-9,11,16H,7,10H2,1H3,(H,22,25)(H,23,26)/t11-,16+/m0/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50143890
PNG
(2-(4-Benzyl-piperidin-1-ylmethyl)-3H-benzoimidazol...)
Show SMILES Oc1ccc2nc(CN3CCC(Cc4ccccc4)CC3)[nH]c2c1
Show InChI InChI=1S/C20H23N3O/c24-17-6-7-18-19(13-17)22-20(21-18)14-23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16,24H,8-12,14H2,(H,21,22)
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3.09n/an/an/an/an/an/an/an/a



Hamamatsu University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from NR2B receptor in rat cortical synaptic membranes


Bioorg Med Chem 18: 7497-506 (2010)


Article DOI: 10.1016/j.bmc.2010.08.053
BindingDB Entry DOI: 10.7270/Q2MS3T06
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50284815
PNG
(2-((S)-9-Chloro-6-methyl-2,3-dioxo-2,3,6,7-tetrahy...)
Show SMILES C[C@H]1Cc2cc(Cl)cc3[nH]c(=O)c(=O)n(C1CC(=O)Nc1ccccc1)c23
Show InChI InChI=1S/C20H18ClN3O3/c1-11-7-12-8-13(21)9-15-18(12)24(20(27)19(26)23-15)16(11)10-17(25)22-14-5-3-2-4-6-14/h2-6,8-9,11,16H,7,10H2,1H3,(H,22,25)(H,23,26)/t11-,16?/m0/s1
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3.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50284801
PNG
(((5R,6S)-9-Bromo-6-methyl-2,3-dioxo-2,3,6,7-tetrah...)
Show SMILES C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n([C@@H]1CC(O)=O)c23
Show InChI InChI=1S/C14H13BrN2O4/c1-6-2-7-3-8(15)4-9-12(7)17(10(6)5-11(18)19)14(21)13(20)16-9/h3-4,6,10H,2,5H2,1H3,(H,16,20)(H,18,19)/t6-,10+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50284813
PNG
(((S)-9-Chloro-6-methyl-2,3-dioxo-2,3,6,7-tetrahydr...)
Show SMILES C[C@H]1Cc2cc(Cl)cc3[nH]c(=O)c(=O)n(C1CC(O)=O)c23
Show InChI InChI=1S/C14H13ClN2O4/c1-6-2-7-3-8(15)4-9-12(7)17(10(6)5-11(18)19)14(21)13(20)16-9/h3-4,6,10H,2,5H2,1H3,(H,16,20)(H,18,19)/t6-,10?/m0/s1
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4.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50284817
PNG
((9-Chloro-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrid...)
Show SMILES OC(=O)CC1CCc2cc(Cl)cc3[nH]c(=O)c(=O)n1c23
Show InChI InChI=1S/C13H11ClN2O4/c14-7-3-6-1-2-8(5-10(17)18)16-11(6)9(4-7)15-12(19)13(16)20/h3-4,8H,1-2,5H2,(H,15,19)(H,17,18)
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5.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50329501
PNG
(CHEMBL1270332 | N-{2-[4-(4-Iodobenzyl)-piperidin-1...)
Show SMILES CS(=O)(=O)Nc1ccc2nc(CN3CCC(Cc4ccc(I)cc4)CC3)[nH]c2c1
Show InChI InChI=1S/C21H25IN4O2S/c1-29(27,28)25-18-6-7-19-20(13-18)24-21(23-19)14-26-10-8-16(9-11-26)12-15-2-4-17(22)5-3-15/h2-7,13,16,25H,8-12,14H2,1H3,(H,23,24)
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5.75n/an/an/an/an/an/an/an/a



Hamamatsu University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from NR2B receptor in rat cortical synaptic membranes


Bioorg Med Chem 18: 7497-506 (2010)


Article DOI: 10.1016/j.bmc.2010.08.053
BindingDB Entry DOI: 10.7270/Q2MS3T06
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50284818
PNG
(2-(9-Chloro-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyr...)
Show SMILES Clc1cc2CCC(CC(=O)Nc3ccccc3)n3c2c(c1)[nH]c(=O)c3=O
Show InChI InChI=1S/C19H16ClN3O3/c20-12-8-11-6-7-14(10-16(24)21-13-4-2-1-3-5-13)23-17(11)15(9-12)22-18(25)19(23)26/h1-5,8-9,14H,6-7,10H2,(H,21,24)(H,22,25)
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6.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50329502
PNG
(2-{[4-(4-Iodobenzyl)piperidin-1-yl]methyl}benzimid...)
Show SMILES Oc1ccc2nc(CN3CCC(Cc4ccc(I)cc4)CC3)[nH]c2c1
Show InChI InChI=1S/C20H22IN3O/c21-16-3-1-14(2-4-16)11-15-7-9-24(10-8-15)13-20-22-18-6-5-17(25)12-19(18)23-20/h1-6,12,15,25H,7-11,13H2,(H,22,23)
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7.28n/an/an/an/an/an/an/an/a



Hamamatsu University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from NR2B receptor in rat cortical synaptic membranes


Bioorg Med Chem 18: 7497-506 (2010)


Article DOI: 10.1016/j.bmc.2010.08.053
BindingDB Entry DOI: 10.7270/Q2MS3T06
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50038043
PNG
((9-Bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrido...)
Show SMILES OC(=O)CC1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23
Show InChI InChI=1S/C13H11BrN2O4/c14-7-3-6-1-2-8(5-10(17)18)16-11(6)9(4-7)15-12(19)13(16)20/h3-4,8H,1-2,5H2,(H,15,19)(H,17,18)
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9.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50007674
PNG
((+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydro...)
Show SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1
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20n/an/an/an/an/an/an/an/a



Hamamatsu University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from NR2B receptor in rat cortical synaptic membranes


Bioorg Med Chem 18: 7497-506 (2010)


Article DOI: 10.1016/j.bmc.2010.08.053
BindingDB Entry DOI: 10.7270/Q2MS3T06
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50329503
PNG
(2-{[4-(4-Iodophenoxy)piperidin-1-yl]methyl}benzimi...)
Show SMILES Oc1ccc2nc(CN3CCC(CC3)Oc3ccc(I)cc3)[nH]c2c1
Show InChI InChI=1S/C19H20IN3O2/c20-13-1-4-15(5-2-13)25-16-7-9-23(10-8-16)12-19-21-17-6-3-14(24)11-18(17)22-19/h1-6,11,16,24H,7-10,12H2,(H,21,22)
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32.5n/an/an/an/an/an/an/an/a



Hamamatsu University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from NR2B receptor in rat cortical synaptic membranes


Bioorg Med Chem 18: 7497-506 (2010)


Article DOI: 10.1016/j.bmc.2010.08.053
BindingDB Entry DOI: 10.7270/Q2MS3T06
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50284814
PNG
((9-Iodo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrido[...)
Show SMILES OC(=O)CC1CCc2cc(I)cc3[nH]c(=O)c(=O)n1c23
Show InChI InChI=1S/C13H11IN2O4/c14-7-3-6-1-2-8(5-10(17)18)16-11(6)9(4-7)15-12(19)13(16)20/h3-4,8H,1-2,5H2,(H,15,19)(H,17,18)
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47n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50284816
PNG
(2-(9-Iodo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrid...)
Show SMILES Ic1cc2CCC(CC(=O)Nc3ccccc3)n3c2c(c1)[nH]c(=O)c3=O
Show InChI InChI=1S/C19H16IN3O3/c20-12-8-11-6-7-14(10-16(24)21-13-4-2-1-3-5-13)23-17(11)15(9-12)22-18(25)19(23)26/h1-5,8-9,14H,6-7,10H2,(H,21,24)(H,22,25)
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134n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for the glycine binding site of the NMDA receptor using [3H]- 5,7- dichloro -kynurenic acid as radio-ligand


Bioorg Med Chem Lett 5: 1533-1536 (1995)


Article DOI: 10.1016/0960-894X(95)00244-N
BindingDB Entry DOI: 10.7270/Q2FB52WG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50264847
PNG
(CHEMBL4096902)
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n/an/a 0.180n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50256209
PNG
(CHEMBL4101768)
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n/an/a 0.190n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50264846
PNG
(CHEMBL4066531)
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n/an/a 0.210n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192809
PNG
(CHEMBL3941914)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1
Show InChI InChI=1/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)
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n/an/a 0.220n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192809
PNG
(CHEMBL3941914)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1
Show InChI InChI=1/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)
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n/an/a 0.220n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50256228
PNG
(CHEMBL4099293)
PDB

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n/an/a 0.290n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192811
PNG
(CHEMBL3971502)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(Cl)cn2)n1
Show InChI InChI=1/C24H23ClN8OS2/c1-13-21(36-14(2)29-13)19-12-35-24(30-19)31-20-6-3-15(7-26-20)22(34)33-17-4-5-18(33)11-32(10-17)23-27-8-16(25)9-28-23/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,26,30,31)
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n/an/a 0.300n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192811
PNG
(CHEMBL3971502)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(Cl)cn2)n1
Show InChI InChI=1/C24H23ClN8OS2/c1-13-21(36-14(2)29-13)19-12-35-24(30-19)31-20-6-3-15(7-26-20)22(34)33-17-4-5-18(33)11-32(10-17)23-27-8-16(25)9-28-23/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,26,30,31)
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n/an/a 0.300n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50264858
PNG
(CHEMBL4077638)
PDB

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n/an/a 0.310n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192807
PNG
(CHEMBL3984947)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OCC(F)(F)F)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r|
Show InChI InChI=1/C23H23F3N6O2S2/c1-12-20(36-13(2)28-12)18-10-35-22(29-18)30-19-6-3-14(9-27-19)21(33)32-16-4-5-17(32)8-15(7-16)31-34-11-23(24,25)26/h3,6,9-10,16-17H,4-5,7-8,11H2,1-2H3,(H,27,29,30)/b31-15-/t16-,17+/s2
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n/an/a 0.360n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50264859
PNG
(CHEMBL4078117)
PDB

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n/an/a 0.390n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192809
PNG
(CHEMBL3941914)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1
Show InChI InChI=1/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)
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n/an/a 0.400n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of hypotonicity-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192809
PNG
(CHEMBL3941914)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1
Show InChI InChI=1/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)
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n/an/a 0.400n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50264845
PNG
(CHEMBL4095552)
PDB

UniProtKB/SwissProt

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n/an/a 0.5n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192804
PNG
(CHEMBL3933401)
Show SMILES COC(=O)N1CCN(C(C1)C(F)(F)F)C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1
Show InChI InChI=1/C21H21F3N6O3S2/c1-11-17(35-12(2)26-11)14-10-34-19(27-14)28-16-5-4-13(8-25-16)18(31)30-7-6-29(20(32)33-3)9-15(30)21(22,23)24/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,25,27,28)
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n/an/a 0.570n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50256212
PNG
(CHEMBL4060956)
PDB

UniProtKB/SwissProt

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n/an/a 0.620n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50264848
PNG
(CHEMBL4062935)
PDB

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n/an/a 0.650n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50264857
PNG
(CHEMBL4090714)
PDB

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n/an/a 0.710n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50264856
PNG
(CHEMBL4084992)
PDB

UniProtKB/SwissProt

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n/an/a 0.870n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192820
PNG
(CHEMBL3950646)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ccc(Cl)cn2)n1
Show InChI InChI=1/C25H24ClN7OS2/c1-14-23(36-15(2)29-14)20-13-35-25(30-20)31-21-7-3-16(9-27-21)24(34)33-18-5-6-19(33)12-32(11-18)22-8-4-17(26)10-28-22/h3-4,7-10,13,18-19H,5-6,11-12H2,1-2H3,(H,27,30,31)
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n/an/a 0.900n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50256230
PNG
(CHEMBL4083772)
PDB

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n/an/a 0.970n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50264855
PNG
(CHEMBL4091558)
PDB

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n/an/a 0.990n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192808
PNG
(CHEMBL3915150)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OC)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r|
Show InChI InChI=1/C22H24N6O2S2/c1-12-20(32-13(2)24-12)18-11-31-22(25-18)26-19-7-4-14(10-23-19)21(29)28-16-5-6-17(28)9-15(8-16)27-30-3/h4,7,10-11,16-17H,5-6,8-9H2,1-3H3,(H,23,25,26)/b27-15-/t16-,17+/s2
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n/an/a 1n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192779
PNG
(CHEMBL3957347)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OC[C@@H](O)C(F)(F)F)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r|
Show InChI InChI=1/C24H25F3N6O3S2/c1-12-21(38-13(2)29-12)18-11-37-23(30-18)31-20-6-3-14(9-28-20)22(35)33-16-4-5-17(33)8-15(7-16)32-36-10-19(34)24(25,26)27/h3,6,9,11,16-17,19,34H,4-5,7-8,10H2,1-2H3,(H,28,30,31)/b32-15-/t16-,17+,19+/s2
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n/an/a 1.10n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50256210
PNG
(CHEMBL4080527)
PDB

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n/an/a 1.30n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50264844
PNG
(CHEMBL4069724)
PDB

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n/an/a 1.30n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50263440
PNG
(CHEMBL4083195)
PDB

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n/an/a 1.40n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192817
PNG
(CHEMBL3924485)
Show SMILES COC(=O)N1CC2CCC(C1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1
Show InChI InChI=1/C22H24N6O3S2/c1-12-19(33-13(2)24-12)17-11-32-21(25-17)26-18-7-4-14(8-23-18)20(29)28-15-5-6-16(28)10-27(9-15)22(30)31-3/h4,7-8,11,15-16H,5-6,9-10H2,1-3H3,(H,23,25,26)
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n/an/a 1.70n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50256211
PNG
(CHEMBL4077429)
PDB

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n/an/a 1.80n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
PDB
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n/an/a 1.80n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192781
PNG
(CHEMBL3985107)
Show SMILES COC(=O)N1CC2CCCC(C1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1
Show InChI InChI=1/C23H26N6O3S2/c1-13-20(34-14(2)25-13)18-12-33-22(26-18)27-19-8-7-15(9-24-19)21(30)29-16-5-4-6-17(29)11-28(10-16)23(31)32-3/h7-9,12,16-17H,4-6,10-11H2,1-3H3,(H,24,26,27)
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n/an/a 1.80n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192827
PNG
(CHEMBL3985405)
Show SMILES CCNC(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r|
Show InChI InChI=1/C24H28N6O3S2/c1-4-25-24(32)33-18-9-16-6-7-17(10-18)30(16)22(31)15-5-8-20(26-11-15)29-23-28-19(12-34-23)21-13(2)27-14(3)35-21/h5,8,11-12,16-18H,4,6-7,9-10H2,1-3H3,(H,25,32)(H,26,28,29)/t16-,17+,18+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50256229
PNG
(CHEMBL4063752)
PDB

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antibodypedia
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Article
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n/an/a 2n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL




Bioorg Med Chem 25: 2177-2190 (2017)


Article DOI: 10.1016/j.bmc.2017.02.047
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus)
BDBM50192809
PNG
(CHEMBL3941914)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1
Show InChI InChI=1/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV4 assessed as inhibition of hypotonicity-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
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