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Compile Data Set for Download or QSAR

Found 313 hits with Last Name = 'matsuda' 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
Estrogen receptor


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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24n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM23420
PNG
(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
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300n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50101979
PNG
(2,6-Dihydroxyanthraquinone | 2,6-dihydroxy-9,10-an...)
Show SMILES Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1
Show InChI InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
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310n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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370n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50101979
PNG
(2,6-Dihydroxyanthraquinone | 2,6-dihydroxy-9,10-an...)
Show SMILES Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1
Show InChI InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
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690n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor beta


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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770n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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1.50E+3n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor beta


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM23420
PNG
(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
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1.80E+3n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50366683
PNG
(CHEMBL464360)
Show SMILES Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3C(=O)c2c1 |r|
Show InChI InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1
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5.70E+3n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50366683
PNG
(CHEMBL464360)
Show SMILES Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3C(=O)c2c1 |r|
Show InChI InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1
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1.80E+4n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor beta


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
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))
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))
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))
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))
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))
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))
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))
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))
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+
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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
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)
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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
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192826
PNG
(CHEMBL3979114)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(CC(F)(F)F)C3)n1
Show InChI InChI=1/C22H23F3N6OS2/c1-12-19(34-13(2)27-12)17-10-33-21(28-17)29-18-6-3-14(7-26-18)20(32)31-15-4-5-16(31)9-30(8-15)11-22(23,24)25/h3,6-7,10,15-16H,4-5,8-9,11H2,1-2H3,(H,26,28,29)
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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))
BDBM50192803
PNG
(CHEMBL3906685)
Show SMILES CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r|
Show InChI InChI=1/C22H25N5O2S2/c1-12-20(31-13(2)24-12)18-11-30-22(25-18)26-19-7-4-14(10-23-19)21(28)27-15-5-6-16(27)9-17(8-15)29-3/h4,7,10-11,15-17H,5-6,8-9H2,1-3H3,(H,23,25,26)/t15-,16+,17+
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n/an/a 2.40n/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))
BDBM50192819
PNG
(CHEMBL3908777)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)C2CCCCC2)n1
Show InChI InChI=1/C26H32N6OS2/c1-16-24(35-17(2)28-16)22-15-34-26(29-22)30-23-11-8-18(12-27-23)25(33)32-20-9-10-21(32)14-31(13-20)19-6-4-3-5-7-19/h8,11-12,15,19-21H,3-7,9-10,13-14H2,1-2H3,(H,27,29,30)
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n/an/a 2.80n/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))
BDBM50192822
PNG
(CHEMBL3897222)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OCCCO)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r|
Show InChI InChI=1/C24H28N6O3S2/c1-14-22(35-15(2)26-14)20-13-34-24(27-20)28-21-7-4-16(12-25-21)23(32)30-18-5-6-19(30)11-17(10-18)29-33-9-3-8-31/h4,7,12-13,18-19,31H,3,5-6,8-11H2,1-2H3,(H,25,27,28)/b29-17-/t18-,19+/s2
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n/an/a 2.90n/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))
BDBM50192823
PNG
(CHEMBL3906074)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3COCC2CC(=O)C3)n1
Show InChI InChI=1/C21H21N5O3S2/c1-11-19(31-12(2)23-11)17-10-30-21(24-17)25-18-4-3-13(7-22-18)20(28)26-14-5-16(27)6-15(26)9-29-8-14/h3-4,7,10,14-15H,5-6,8-9H2,1-2H3,(H,22,24,25)
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n/an/a 3.10n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV4 expressed in CHO-K1 cells assessed as blockade of hypotonic solution-induced calcium mobilization by F...


Bioorg Med Chem Lett 26: 4930-4935 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.013
BindingDB Entry DOI: 10.7270/Q2BC41H5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192776
PNG
(CHEMBL3979627)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ccc(Cl)cc2)n1
Show InChI InChI=1/C26H25ClN6OS2/c1-15-24(36-16(2)29-15)22-14-35-26(30-22)31-23-10-3-17(11-28-23)25(34)33-20-8-9-21(33)13-32(12-20)19-6-4-18(27)5-7-19/h3-7,10-11,14,20-21H,8-9,12-13H2,1-2H3,(H,28,30,31)
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n/an/a 3.20n/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))
BDBM50192778
PNG
(CHEMBL3942384)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CNCC2COC3)n1
Show InChI InChI=1/C20H22N6O2S2/c1-11-18(30-12(2)23-11)16-10-29-20(24-16)25-17-4-3-13(5-22-17)19(27)26-14-6-21-7-15(26)9-28-8-14/h3-5,10,14-15,21H,6-9H2,1-2H3,(H,22,24,25)
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n/an/a 3.20n/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))
BDBM50192816
PNG
(CHEMBL3968344)
Show SMILES [H][C@]12CC[C@]([H])(CC(C1)=NOCC(C)(C)O)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r|
Show InChI InChI=1/C25H30N6O3S2/c1-14-22(36-15(2)27-14)20-12-35-24(28-20)29-21-8-5-16(11-26-21)23(32)31-18-6-7-19(31)10-17(9-18)30-34-13-25(3,4)33/h5,8,11-12,18-19,33H,6-7,9-10,13H2,1-4H3,(H,26,28,29)/b30-17-/t18-,19+/s2
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n/an/a 4.40n/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))
BDBM50192828
PNG
(CHEMBL3914089)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OC1CCN(C)CC1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r|
Show InChI InChI=1/C27H33N7O2S2/c1-16-25(38-17(2)29-16)23-15-37-27(30-23)31-24-7-4-18(14-28-24)26(35)34-20-5-6-21(34)13-19(12-20)32-36-22-8-10-33(3)11-9-22/h4,7,14-15,20-22H,5-6,8-13H2,1-3H3,(H,28,30,31)/b32-19-/t20-,21+/s2
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n/an/a 4.5n/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))
BDBM50192824
PNG
(CHEMBL3924665)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2ncc(cn2)C(F)(F)F)n1 |r|
Show InChI InChI=1/C26H24F3N7O2S2/c1-13-22(40-14(2)33-13)20-12-39-25(34-20)35-21-6-3-15(9-30-21)23(37)36-17-4-5-18(36)8-19(7-17)38-24-31-10-16(11-32-24)26(27,28)29/h3,6,9-12,17-19H,4-5,7-8H2,1-2H3,(H,30,34,35)/t17-,18+,19+
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n/an/a 4.80n/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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362167
PNG
(CHEMBL1941129)
Show SMILES COc1ccc(cc1)C(=O)N(CCCc1cccc(OCC(O)=O)c1)CCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H35NO5/c1-39-30-19-17-29(18-20-30)34(38)35(22-9-11-26-10-8-16-31(24-26)40-25-33(36)37)23-21-32(27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-8,10,12-20,24,32H,9,11,21-23,25H2,1H3,(H,36,37)
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n/an/a 5.5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362160
PNG
(CHEMBL1941121)
Show SMILES COc1ccc(cc1)C(c1ccc(OC)cc1)c1ccc(=O)n(CCCc2cccc(OCC(O)=O)c2)c1
Show InChI InChI=1S/C31H31NO6/c1-36-26-13-8-23(9-14-26)31(24-10-15-27(37-2)16-11-24)25-12-17-29(33)32(20-25)18-4-6-22-5-3-7-28(19-22)38-21-30(34)35/h3,5,7-17,19-20,31H,4,6,18,21H2,1-2H3,(H,34,35)
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n/an/a 5.80n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192774
PNG
(CHEMBL3986034)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OCCO)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r|
Show InChI InChI=1/C23H26N6O3S2/c1-13-21(34-14(2)25-13)19-12-33-23(26-19)27-20-6-3-15(11-24-20)22(31)29-17-4-5-18(29)10-16(9-17)28-32-8-7-30/h3,6,11-12,17-18,30H,4-5,7-10H2,1-2H3,(H,24,26,27)/b28-16-/t17-,18+/s2
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n/an/a 6n/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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362159
PNG
(CHEMBL1941120)
Show SMILES Cc1ccc(cc1)C(c1ccc(C)cc1)c1ccc(=O)n(CCCc2cccc(OCC(O)=O)c2)c1
Show InChI InChI=1S/C31H31NO4/c1-22-8-12-25(13-9-22)31(26-14-10-23(2)11-15-26)27-16-17-29(33)32(20-27)18-4-6-24-5-3-7-28(19-24)36-21-30(34)35/h3,5,7-17,19-20,31H,4,6,18,21H2,1-2H3,(H,34,35)
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n/an/a 6.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192813
PNG
(CHEMBL3896628)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)OCCO)n1 |r|
Show InChI InChI=1/C23H27N5O3S2/c1-13-21(33-14(2)25-13)19-12-32-23(26-19)27-20-6-3-15(11-24-20)22(30)28-16-4-5-17(28)10-18(9-16)31-8-7-29/h3,6,11-12,16-18,29H,4-5,7-10H2,1-2H3,(H,24,26,27)/t16-,17+,18+
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n/an/a 6.20n/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))
BDBM50195055
PNG
(CHEMBL3954949)
Show SMILES CC1CCCC(C)N1C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1
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n/an/a 6.30n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV4 expressed in CHO-K1 cells assessed as blockade of 1000 nM 4alphaPDD-induced calcium mobilization by FL...


Bioorg Med Chem Lett 26: 4930-4935 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.013
BindingDB Entry DOI: 10.7270/Q2BC41H5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192777
PNG
(CHEMBL3915675)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)OC(=O)NCCF)n1 |r|
Show InChI InChI=1/C24H27FN6O3S2/c1-13-21(36-14(2)28-13)19-12-35-23(29-19)30-20-6-3-15(11-27-20)22(32)31-16-4-5-17(31)10-18(9-16)34-24(33)26-8-7-25/h3,6,11-12,16-18H,4-5,7-10H2,1-2H3,(H,26,33)(H,27,29,30)/t16-,17+,18+
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n/an/a 6.70n/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))
BDBM50192825
PNG
(CHEMBL3976867)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/O)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r|
Show InChI InChI=1/C21H22N6O2S2/c1-11-19(31-12(2)23-11)17-10-30-21(24-17)25-18-6-3-13(9-22-18)20(28)27-15-4-5-16(27)8-14(7-15)26-29/h3,6,9-10,15-16,29H,4-5,7-8H2,1-2H3,(H,22,24,25)/b26-14-/t15-,16+/s2
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n/an/a 8.40n/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
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)
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n/an/a 8.60n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat 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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362158
PNG
(CHEMBL1941119)
Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C29H25Cl2NO4/c30-24-11-6-21(7-12-24)29(22-8-13-25(31)14-9-22)23-10-15-27(33)32(18-23)16-2-4-20-3-1-5-26(17-20)36-19-28(34)35/h1,3,5-15,17-18,29H,2,4,16,19H2,(H,34,35)
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n/an/a 9.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50195058
PNG
(CHEMBL3979286)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)Nc2ccc(Cl)cc2)n1
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n/an/a 9.5n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV4 expressed in CHO-K1 cells assessed as blockade of 1000 nM 4alphaPDD-induced calcium mobilization by FL...


Bioorg Med Chem Lett 26: 4930-4935 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.013
BindingDB Entry DOI: 10.7270/Q2BC41H5
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362166
PNG
(CHEMBL1941128)
Show SMILES OC(=O)COc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C33H33NO4/c35-32(36)25-38-30-20-10-12-26(24-30)13-11-22-34(33(37)29-18-8-3-9-19-29)23-21-31(27-14-4-1-5-15-27)28-16-6-2-7-17-28/h1-10,12,14-20,24,31H,11,13,21-23,25H2,(H,35,36)
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n/an/a 9.70n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM65888
PNG
((2',4'-Dimethyl-[4,5']bithiazolyl-2-yl...)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccccn2)n1
Show InChI InChI=1S/C13H12N4S2/c1-8-12(19-9(2)15-8)10-7-18-13(16-10)17-11-5-3-4-6-14-11/h3-7H,1-2H3,(H,14,16,17)
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n/an/a 10n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV4 expressed in CHO-K1 cells assessed as blockade of 1000 nM 4alphaPDD-induced calcium mobilization by FL...


Bioorg Med Chem Lett 26: 4930-4935 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.013
BindingDB Entry DOI: 10.7270/Q2BC41H5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50195059
PNG
(CHEMBL3932523)
Show SMILES CCOC(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1
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n/an/a 11n/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV4 expressed in CHO-K1 cells assessed as blockade of 1000 nM 4alphaPDD-induced calcium mobilization by FL...


Bioorg Med Chem Lett 26: 4930-4935 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.013
BindingDB Entry DOI: 10.7270/Q2BC41H5
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362164
PNG
(CHEMBL1941126)
Show SMILES OC(=O)CCCOc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C31H31NO4/c33-29-19-18-27(31(25-12-3-1-4-13-25)26-14-5-2-6-15-26)23-32(29)20-8-11-24-10-7-16-28(22-24)36-21-9-17-30(34)35/h1-7,10,12-16,18-19,22-23,31H,8-9,11,17,20-21H2,(H,34,35)
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n/an/a 11n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362157
PNG
(CHEMBL1941118)
Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C29H25F2NO4/c30-24-11-6-21(7-12-24)29(22-8-13-25(31)14-9-22)23-10-15-27(33)32(18-23)16-2-4-20-3-1-5-26(17-20)36-19-28(34)35/h1,3,5-15,17-18,29H,2,4,16,19H2,(H,34,35)
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n/an/a 11n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362165
PNG
(CHEMBL1941127)
Show SMILES OC(=O)CCCOc1cccc(CCCn2nc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C30H30N2O4/c33-28-19-18-27(30(24-12-3-1-4-13-24)25-14-5-2-6-15-25)31-32(28)20-8-11-23-10-7-16-26(22-23)36-21-9-17-29(34)35/h1-7,10,12-16,18-19,22,30H,8-9,11,17,20-21H2,(H,34,35)
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n/an/a 13n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus)
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 15n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat 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
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