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Compile Data Set for Download or QSAR

Found 302 hits with Last Name = 'nishimura' and Initial = 'y'   
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
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50318885
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C181H291N55O51S2/c1-21-96(18)146(236-160(267)114(48-53-141(250)251)212-174(281)132(84-239)232-177(284)143(93(12)13)233-147(254)103(185)82-237)178(285)216-111(45-50-134(187)241)155(262)219-119(65-90(6)7)163(270)213-116(55-62-289-20)158(265)224-124(71-100-79-196-86-203-100)167(274)226-126(73-135(188)242)169(276)217-117(63-88(2)3)148(255)201-81-138(245)205-105(39-27-30-56-182)149(256)223-123(70-99-78-195-85-202-99)166(273)221-121(67-92(10)11)164(271)225-128(75-137(190)244)171(278)231-131(83-238)173(280)214-115(54-61-288-19)157(264)210-112(46-51-139(246)247)153(260)208-109(43-34-60-199-181(193)194)159(266)234-144(94(14)15)175(282)215-113(47-52-140(248)249)156(263)222-122(69-98-77-200-104-38-26-25-37-102(98)104)165(272)220-120(66-91(8)9)161(268)209-108(42-33-59-198-180(191)192)151(258)206-106(40-28-31-57-183)150(257)207-107(41-29-32-58-184)152(259)218-118(64-89(4)5)162(269)211-110(44-49-133(186)240)154(261)228-129(76-142(252)253)172(279)235-145(95(16)17)176(283)229-125(72-101-80-197-87-204-101)168(275)227-127(74-136(189)243)170(277)230-130(179(286)287)68-97-35-23-22-24-36-97/h22-26,35-38,77-80,85-96,103,105-132,143-146,200,237-239H,21,27-34,39-76,81-84,182-185H2,1-20H3,(H2,186,240)(H2,187,241)(H2,188,242)(H2,189,243)(H2,190,244)(H,195,202)(H,196,203)(H,197,204)(H,201,255)(H,205,245)(H,206,258)(H,207,257)(H,208,260)(H,209,268)(H,210,264)(H,211,269)(H,212,281)(H,213,270)(H,214,280)(H,215,282)(H,216,285)(H,217,276)(H,218,259)(H,219,262)(H,220,272)(H,221,273)(H,222,263)(H,223,256)(H,224,265)(H,225,271)(H,226,274)(H,227,275)(H,228,261)(H,229,283)(H,230,277)(H,231,278)(H,232,284)(H,233,254)(H,234,266)(H,235,279)(H,236,267)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,286,287)(H4,191,192,198)(H4,193,194,199)/t96-,103-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,143-,144-,145-,146-/m0/s1
PDB
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Reactome pathway
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n/an/a 0.0800n/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of 125I-PTH (1 to 15 residues) from human PTHR1 expressed in African green monkey COS7 cell membranes at 300 uM after 90 mins by gamma c...


J Med Chem 61: 5949-5962 (2018)

More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445769
PNG
(CHEMBL3104615)
Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CCCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C24H24F5N3O3/c25-18-3-1-4-19(26)20(18)21(33)31-13-10-23(11-14-31)9-2-12-32(15-23)22(34)30-16-5-7-17(8-6-16)35-24(27,28)29/h1,3-8H,2,9-15H2,(H,30,34)
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n/an/a 0.125n/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441476
PNG
(CHEMBL2436575)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2cccc3ncccc23)cc1
Show InChI InChI=1S/C26H25F3N4O3/c27-26(28,29)36-19-8-6-18(7-9-19)31-24(35)33-16-12-25(17-33)10-14-32(15-11-25)23(34)21-3-1-5-22-20(21)4-2-13-30-22/h1-9,13H,10-12,14-17H2,(H,31,35)
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n/an/a 0.200n/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441467
PNG
(CHEMBL2436573)
Show SMILES Oc1ccc(F)c(c1)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C23H23F4N3O4/c24-19-6-3-16(31)13-18(19)20(32)29-10-7-22(8-11-29)9-12-30(14-22)21(33)28-15-1-4-17(5-2-15)34-23(25,26)27/h1-6,13,31H,7-12,14H2,(H,28,33)
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n/an/a 0.200n/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441481
PNG
(CHEMBL2436579)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2cnoc2C2CC2)cc1
Show InChI InChI=1S/C23H25F3N4O4/c24-23(25,26)33-17-5-3-16(4-6-17)28-21(32)30-12-9-22(14-30)7-10-29(11-8-22)20(31)18-13-27-34-19(18)15-1-2-15/h3-6,13,15H,1-2,7-12,14H2,(H,28,32)
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n/an/a 0.200n/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
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=1S/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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441483
PNG
(CHEMBL2436591)
Show SMILES CCC(CC)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C22H30F3N3O3/c1-3-16(4-2)19(29)27-12-9-21(10-13-27)11-14-28(15-21)20(30)26-17-5-7-18(8-6-17)31-22(23,24)25/h5-8,16H,3-4,9-15H2,1-2H3,(H,26,30)
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n/an/a 0.300n/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441469
PNG
(CHEMBL2436586)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)C2(CC2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H23F6N3O3/c22-20(23,24)19(5-6-19)16(31)29-10-7-18(8-11-29)9-12-30(13-18)17(32)28-14-1-3-15(4-2-14)33-21(25,26)27/h1-4H,5-13H2,(H,28,32)
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n/an/a 0.300n/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441470
PNG
(CHEMBL2436574)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C23H23ClF3N3O3/c24-19-4-2-1-3-18(19)20(31)29-12-9-22(10-13-29)11-14-30(15-22)21(32)28-16-5-7-17(8-6-16)33-23(25,26)27/h1-8H,9-15H2,(H,28,32)
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n/an/a 0.300n/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441474
PNG
(CHEMBL2436563)
Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C23H22F5N3O2/c24-17-2-1-3-18(25)19(17)20(32)30-11-8-22(9-12-30)10-13-31(14-22)21(33)29-16-6-4-15(5-7-16)23(26,27)28/h1-7H,8-14H2,(H,29,33)
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n/an/a 0.300n/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
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=1S/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 Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C\C(C3)=N/OCC(F)(F)F)n1
Show InChI InChI=1S/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+/m0/s1
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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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441486
PNG
(CHEMBL2436593)
Show SMILES Oc1cccc(CCC(=O)N2CCC3(CCN(C3)C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1
Show InChI InChI=1S/C25H28F3N3O4/c26-25(27,28)35-21-7-5-19(6-8-21)29-23(34)31-15-12-24(17-31)10-13-30(14-11-24)22(33)9-4-18-2-1-3-20(32)16-18/h1-3,5-8,16,32H,4,9-15,17H2,(H,29,34)
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n/an/a 0.400n/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441472
PNG
(CHEMBL2436578)
Show SMILES Cc1cc(no1)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C21H23F3N4O4/c1-14-12-17(26-32-14)18(29)27-9-6-20(7-10-27)8-11-28(13-20)19(30)25-15-2-4-16(5-3-15)31-21(22,23)24/h2-5,12H,6-11,13H2,1H3,(H,25,30)
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n/an/a 0.400n/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441468
PNG
(CHEMBL2436564)
Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C23H22F5N3O3/c24-17-2-1-3-18(25)19(17)20(32)30-11-8-22(9-12-30)10-13-31(14-22)21(33)29-15-4-6-16(7-5-15)34-23(26,27)28/h1-7H,8-14H2,(H,29,33)
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n/an/a 0.400n/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
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=1S/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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445752
PNG
(CHEMBL3104441)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)C3(CC3)c3ccccc3)C2)cc1
Show InChI InChI=1S/C26H28F3N3O4/c27-26(28,29)36-21-8-6-20(7-9-21)30-23(34)32-16-17-35-24(18-32)12-14-31(15-13-24)22(33)25(10-11-25)19-4-2-1-3-5-19/h1-9H,10-18H2,(H,30,34)
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n/an/a 0.400n/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441482
PNG
(CHEMBL2436577)
Show SMILES Cc1cnc(cn1)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C22H24F3N5O3/c1-15-12-27-18(13-26-15)19(31)29-9-6-21(7-10-29)8-11-30(14-21)20(32)28-16-2-4-17(5-3-16)33-22(23,24)25/h2-5,12-13H,6-11,14H2,1H3,(H,28,32)
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n/an/a 0.400n/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441492
PNG
(CHEMBL2436580)
Show SMILES Cc1occc1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C22H24F3N3O4/c1-15-18(6-13-31-15)19(29)27-10-7-21(8-11-27)9-12-28(14-21)20(30)26-16-2-4-17(5-3-16)32-22(23,24)25/h2-6,13H,7-12,14H2,1H3,(H,26,30)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445751
PNG
(CHEMBL3104442)
Show SMILES COc1ccccc1CC(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H28F3N3O5/c1-34-21-5-3-2-4-18(21)16-22(32)30-12-10-24(11-13-30)17-31(14-15-35-24)23(33)29-19-6-8-20(9-7-19)36-25(26,27)28/h2-9H,10-17H2,1H3,(H,29,33)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441484
PNG
(CHEMBL2436587)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)C2CC2(F)F)cc1
Show InChI InChI=1S/C20H22F5N3O3/c21-19(22)11-15(19)16(29)27-8-5-18(6-9-27)7-10-28(12-18)17(30)26-13-1-3-14(4-2-13)31-20(23,24)25/h1-4,15H,5-12H2,(H,26,30)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
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=1S/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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441479
PNG
(CHEMBL2436590)
Show SMILES CC(C)(C)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C21H28F3N3O3/c1-19(2,3)17(28)26-11-8-20(9-12-26)10-13-27(14-20)18(29)25-15-4-6-16(7-5-15)30-21(22,23)24/h4-7H,8-14H2,1-3H3,(H,25,29)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441475
PNG
(CHEMBL2436589)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)CC2CC2)cc1
Show InChI InChI=1S/C21H26F3N3O3/c22-21(23,24)30-17-5-3-16(4-6-17)25-19(29)27-12-9-20(14-27)7-10-26(11-8-20)18(28)13-15-1-2-15/h3-6,15H,1-2,7-14H2,(H,25,29)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445760
PNG
(CHEMBL3104432)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cnoc3C3CC3)C2)cc1
Show InChI InChI=1S/C23H25F3N4O5/c24-23(25,26)34-17-5-3-16(4-6-17)28-21(32)30-11-12-33-22(14-30)7-9-29(10-8-22)20(31)18-13-27-35-19(18)15-1-2-15/h3-6,13,15H,1-2,7-12,14H2,(H,28,32)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445758
PNG
(CHEMBL3104435)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cc(Cl)ccn3)C2)cc1
Show InChI InChI=1S/C22H22ClF3N4O4/c23-15-5-8-27-18(13-15)19(31)29-9-6-21(7-10-29)14-30(11-12-33-21)20(32)28-16-1-3-17(4-2-16)34-22(24,25)26/h1-5,8,13H,6-7,9-12,14H2,(H,28,32)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445753
PNG
(CHEMBL3104440)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)C3CCCCC3)C2)cc1
Show InChI InChI=1S/C23H30F3N3O4/c24-23(25,26)33-19-8-6-18(7-9-19)27-21(31)29-14-15-32-22(16-29)10-12-28(13-11-22)20(30)17-4-2-1-3-5-17/h6-9,17H,1-5,10-16H2,(H,27,31)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50276045
PNG
((R)-3-Amino-4-(5-chloro-2-fluoro-phenyl)-N-{4-[6-(...)
Show SMILES COCCOc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(Cl)ccc1F
Show InChI InChI=1S/C25H29ClFN3O5S2/c1-34-8-9-35-19-3-5-21-22(15-19)36-24(29-21)25(6-10-37(32,33)11-7-25)30-23(31)14-18(28)13-16-12-17(26)2-4-20(16)27/h2-5,12,15,18H,6-11,13-14,28H2,1H3,(H,30,31)/t18-/m1/s1
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n/an/a 0.640n/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human Caco2 cells-derived DPP4


Bioorg Med Chem Lett 18: 5435-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441471
PNG
(CHEMBL2436572)
Show SMILES Fc1ccccc1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C23H23F4N3O3/c24-19-4-2-1-3-18(19)20(31)29-12-9-22(10-13-29)11-14-30(15-22)21(32)28-16-5-7-17(8-6-16)33-23(25,26)27/h1-8H,9-15H2,(H,28,32)
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n/an/a 0.700n/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445770
PNG
(CHEMBL3104444)
Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H22F5N3O4/c24-17-2-1-3-18(25)19(17)20(32)30-10-8-22(9-11-30)14-31(12-13-34-22)21(33)29-15-4-6-16(7-5-15)35-23(26,27)28/h1-7H,8-14H2,(H,29,33)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441478
PNG
(CHEMBL2436584)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)C2CCCCC2)cc1
Show InChI InChI=1S/C23H30F3N3O3/c24-23(25,26)32-19-8-6-18(7-9-19)27-21(31)29-15-12-22(16-29)10-13-28(14-11-22)20(30)17-4-2-1-3-5-17/h6-9,17H,1-5,10-16H2,(H,27,31)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445750
PNG
(CHEMBL3104443)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)Cc3ccccn3)C2)cc1
Show InChI InChI=1S/C23H25F3N4O4/c24-23(25,26)34-19-6-4-17(5-7-19)28-21(32)30-13-14-33-22(16-30)8-11-29(12-9-22)20(31)15-18-3-1-2-10-27-18/h1-7,10H,8-9,11-16H2,(H,28,32)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50276047
PNG
((R)-3-Amino-N-{4-[6-(2-morpholin-4-yl-ethoxy)-benz...)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccc(OCCN3CCOCC3)cc2s1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C28H33F3N4O5S2/c29-21-17-23(31)22(30)14-18(21)13-19(32)15-26(36)34-28(3-11-42(37,38)12-4-28)27-33-24-2-1-20(16-25(24)41-27)40-10-7-35-5-8-39-9-6-35/h1-2,14,16-17,19H,3-13,15,32H2,(H,34,36)/t19-/m1/s1
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human Caco2 cells-derived DPP4


Bioorg Med Chem Lett 18: 5435-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441488
PNG
(CHEMBL2436592)
Show SMILES CCCCC(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C21H28F3N3O3/c1-2-3-4-18(28)26-12-9-20(10-13-26)11-14-27(15-20)19(29)25-16-5-7-17(8-6-16)30-21(22,23)24/h5-8H,2-4,9-15H2,1H3,(H,25,29)
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n/an/a 0.800n/an/an/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441487
PNG
(CHEMBL2436576)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2cccc3nc[nH]c23)cc1
Show InChI InChI=1S/C24H24F3N5O3/c25-24(26,27)35-17-6-4-16(5-7-17)30-22(34)32-13-10-23(14-32)8-11-31(12-9-23)21(33)18-2-1-3-19-20(18)29-15-28-19/h1-7,15H,8-14H2,(H,28,29)(H,30,34)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445763
PNG
(CHEMBL3104622)
Show SMILES CC(=O)Nc1ccccc1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H27F3N4O4/c1-17(33)29-21-5-3-2-4-20(21)22(34)31-12-10-24(11-13-31)16-32(14-15-36-24)23(35)30-19-8-6-18(7-9-19)25(26,27)28/h2-9H,10-16H2,1H3,(H,29,33)(H,30,35)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445757
PNG
(CHEMBL3104436)
Show SMILES Cc1cnc(cn1)C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H24F3N5O4/c1-15-12-27-18(13-26-15)19(31)29-8-6-21(7-9-29)14-30(10-11-33-21)20(32)28-16-2-4-17(5-3-16)34-22(23,24)25/h2-5,12-13H,6-11,14H2,1H3,(H,28,32)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441480
PNG
(CHEMBL2436581)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCC3(C2)CCN(CC3)C(=O)c2ccco2)cc1
Show InChI InChI=1S/C21H22F3N3O4/c22-21(23,24)31-16-5-3-15(4-6-16)25-19(29)27-12-9-20(14-27)7-10-26(11-8-20)18(28)17-2-1-13-30-17/h1-6,13H,7-12,14H2,(H,25,29)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
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=1S/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 CO\N=C1\C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1
Show InChI InChI=1S/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+/m0/s1
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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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50276001
PNG
((R)-3-Amino-N-{4-[6-(2-methoxy-ethoxy)-benzothiazo...)
Show SMILES COCCOc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C25H28F3N3O5S2/c1-35-6-7-36-17-2-3-21-22(13-17)37-24(30-21)25(4-8-38(33,34)9-5-25)31-23(32)12-16(29)10-15-11-19(27)20(28)14-18(15)26/h2-3,11,13-14,16H,4-10,12,29H2,1H3,(H,31,32)/t16-/m1/s1
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human Caco2 cells-derived DPP4


Bioorg Med Chem Lett 18: 5435-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.042
BindingDB Entry DOI: 10.7270/Q2QV3MC8
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445764
PNG
(CHEMBL3104621)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3ccc(Cl)cc3)C2)cc1
Show InChI InChI=1S/C23H23ClF3N3O3/c24-18-5-1-16(2-6-18)20(31)29-11-9-22(10-12-29)15-30(13-14-33-22)21(32)28-19-7-3-17(4-8-19)23(25,26)27/h1-8H,9-15H2,(H,28,32)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441461
PNG
(CHEMBL2436568)
Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C23H21ClF5N3O2/c24-16-5-4-14(12-15(16)23(27,28)29)30-21(34)32-11-8-22(13-32)6-9-31(10-7-22)20(33)19-17(25)2-1-3-18(19)26/h1-5,12H,6-11,13H2,(H,30,34)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192779
PNG
(CHEMBL3957347)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2[C@H]3CC[C@@H]2C\C(C3)=N/OC[C@@H](O)C(F)(F)F)n1
Show InChI InChI=1S/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+/m0/s1
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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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445768
PNG
(CHEMBL3102876)
Show SMILES Fc1ccccc1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H23F4N3O4/c24-19-4-2-1-3-18(19)20(31)29-11-9-22(10-12-29)15-30(13-14-33-22)21(32)28-16-5-7-17(8-6-16)34-23(25,26)27/h1-8H,9-15H2,(H,28,32)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445759
PNG
(CHEMBL3104433)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cn[nH]c3C3CC3)C2)cc1
Show InChI InChI=1S/C23H26F3N5O4/c24-23(25,26)35-17-5-3-16(4-6-17)28-21(33)31-11-12-34-22(14-31)7-9-30(10-8-22)20(32)18-13-27-29-19(18)15-1-2-15/h3-6,13,15H,1-2,7-12,14H2,(H,27,29)(H,28,33)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445765
PNG
(CHEMBL3104620)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCOC3(CCN(CC3)C(=O)c3cccc(Cl)c3)C2)cc1
Show InChI InChI=1S/C23H23ClF3N3O3/c24-18-3-1-2-16(14-18)20(31)29-10-8-22(9-11-29)15-30(12-13-33-22)21(32)28-19-6-4-17(5-7-19)23(25,26)27/h1-7,14H,8-13,15H2,(H,28,32)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50441462
PNG
(CHEMBL2436585)
Show SMILES OC1CCC(CC1)C(=O)N1CCC2(CCN(C2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C23H30F3N3O4/c24-23(25,26)33-19-7-3-17(4-8-19)27-21(32)29-14-11-22(15-29)9-12-28(13-10-22)20(31)16-1-5-18(30)6-2-16/h3-4,7-8,16,18,30H,1-2,5-6,9-15H2,(H,27,32)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH using cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxiran-2-yl)methyl]carbonate after 20 to 45 mins by ...


Bioorg Med Chem Lett 23: 5975-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.054
BindingDB Entry DOI: 10.7270/Q2TT4SDR
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50182869
PNG
(CHEMBL439521 | N-((S)-2-amino-3-((S)-1-((S)-1-((2S...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)-c1nnn[nH]1)-c1nnn[nH]1
Show InChI InChI=1S/C34H44N18O6/c1-16(2)10-24(39-32(56)25(17(3)4)40-30(54)22(35)15-36-34(58)29-45-51-52-46-29)31(55)38-23(11-18-8-6-5-7-9-18)26(53)33(57)37-21-13-19(27-41-47-48-42-27)12-20(14-21)28-43-49-50-44-28/h5-9,12-14,16-17,22-26,53H,10-11,15,35H2,1-4H3,(H,36,58)(H,37,57)(H,38,55)(H,39,56)(H,40,54)(H,41,42,47,48)(H,43,44,49,50)(H,45,46,51,52)/t22-,23-,24-,25-,26+/m0/s1
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Kobe Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 by FRET assay


Bioorg Med Chem Lett 22: 1130-5 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.102
BindingDB Entry DOI: 10.7270/Q2BZ66GD
More data for this
Ligand-Target Pair
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50445767
PNG
(CHEMBL3104617)
Show SMILES Fc1cccc(F)c1C(=O)N1CCC2(CC1)CN(CCO2)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F5N3O3/c24-17-2-1-3-18(25)19(17)20(32)30-10-8-22(9-11-30)14-31(12-13-34-22)21(33)29-16-6-4-15(5-7-16)23(26,27)28/h1-7H,8-14H2,(H,29,33)
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Toray Industries Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sEH expressed in baculovirus infected insect Sf9 cells using cyano(6-methoxynaphthalen-2-yl)methyl trans-[(3-phenylox...


Bioorg Med Chem Lett 24: 565-70 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.020
BindingDB Entry DOI: 10.7270/Q2V69M26
More data for this
Ligand-Target Pair
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