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Compile Data Set for Download or QSAR

Found 373 hits with Last Name = 'greene' and Initial = 'j'   
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
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM50347819
PNG
(CHEMBL1802414 | P550)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C126H195N37O37/c1-65(2)49-83(155-122(199)94-35-24-48-163(94)98(174)59-142-107(184)89(60-164)157-103(180)68(7)128)106(183)141-58-97(173)162-101(70(9)169)123(200)156-84(50-66(3)4)113(190)143-69(8)104(181)145-80(40-42-99(175)176)111(188)150-81(41-43-100(177)178)112(189)152-85(51-67(5)6)114(191)158-93(64-168)121(198)161-92(63-167)120(197)154-88(55-74-36-38-75(170)39-37-74)117(194)160-90(61-165)118(195)149-78(33-22-46-137-125(132)133)109(186)147-77(32-21-45-136-124(130)131)108(185)146-76(31-19-20-44-127)105(182)140-56-95(171)139-57-96(172)144-86(53-72-27-15-11-16-28-72)115(192)159-91(62-166)119(196)153-87(54-73-29-17-12-18-30-73)116(193)148-79(34-23-47-138-126(134)135)110(187)151-82(102(129)179)52-71-25-13-10-14-26-71/h10-18,25-30,36-39,65-70,76-94,101,164-170H,19-24,31-35,40-64,127-128H2,1-9H3,(H2,129,179)(H,139,171)(H,140,182)(H,141,183)(H,142,184)(H,143,190)(H,144,172)(H,145,181)(H,146,185)(H,147,186)(H,148,193)(H,149,195)(H,150,188)(H,151,187)(H,152,189)(H,153,196)(H,154,197)(H,155,199)(H,156,200)(H,157,180)(H,158,191)(H,159,192)(H,160,194)(H,161,198)(H,162,173)(H,175,176)(H,177,178)(H4,130,131,136)(H4,132,133,137)(H4,134,135,138)/t68-,69-,70+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,101-/m0/s1
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 278: 27652-7 (2003)


Article DOI: 10.1074/jbc.M302945200
BindingDB Entry DOI: 10.7270/Q2ZK5F81
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM50347818
PNG
(CHEMBL1802413 | P518)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C127H195N37O37/c1-66(2)49-83(160-124(200)94-35-24-48-164(94)101(176)62-144-110(186)91(63-165)163-125(201)104(132)70(8)168)108(184)142-61-100(175)148-90(57-96(131)171)121(197)157-84(50-67(3)4)116(192)145-69(7)106(182)149-80(40-42-102(177)178)114(190)154-81(41-43-103(179)180)115(191)156-85(51-68(5)6)117(193)159-89(56-95(130)170)109(185)143-60-99(174)147-87(55-74-36-38-75(169)39-37-74)119(195)161-92(64-166)122(198)153-78(33-22-46-138-126(134)135)112(188)151-77(32-19-21-45-129)111(187)150-76(31-18-20-44-128)107(183)141-58-97(172)140-59-98(173)146-86(53-72-27-14-10-15-28-72)118(194)162-93(65-167)123(199)158-88(54-73-29-16-11-17-30-73)120(196)152-79(34-23-47-139-127(136)137)113(189)155-82(105(133)181)52-71-25-12-9-13-26-71/h9-17,25-30,36-39,66-70,76-94,104,165-169H,18-24,31-35,40-65,128-129,132H2,1-8H3,(H2,130,170)(H2,131,171)(H2,133,181)(H,140,172)(H,141,183)(H,142,184)(H,143,185)(H,144,186)(H,145,192)(H,146,173)(H,147,174)(H,148,175)(H,149,182)(H,150,187)(H,151,188)(H,152,196)(H,153,198)(H,154,190)(H,155,189)(H,156,191)(H,157,197)(H,158,199)(H,159,193)(H,160,200)(H,161,195)(H,162,194)(H,163,201)(H,177,178)(H,179,180)(H4,134,135,138)(H4,136,137,139)/t69-,70+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,104-/m0/s1
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7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 278: 27652-7 (2003)


Article DOI: 10.1074/jbc.M302945200
BindingDB Entry DOI: 10.7270/Q2ZK5F81
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM86228
PNG
(P517)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C52H77N15O10/c53-24-12-10-21-36(55)46(72)63-37(22-11-13-25-54)47(73)61-30-43(69)60-31-44(70)62-40(28-34-17-6-2-7-18-34)49(75)67-42(32-68)51(77)66-41(29-35-19-8-3-9-20-35)50(76)64-38(23-14-26-59-52(57)58)48(74)65-39(45(56)71)27-33-15-4-1-5-16-33/h1-9,15-20,36-42,68H,10-14,21-32,53-55H2,(H2,56,71)(H,60,69)(H,61,73)(H,62,70)(H,63,72)(H,64,76)(H,65,74)(H,66,77)(H,67,75)(H4,57,58,59)/t36-,37-,38-,39?,40-,41-,42-/m0/s1
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235n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 278: 27652-7 (2003)


Article DOI: 10.1074/jbc.M302945200
BindingDB Entry DOI: 10.7270/Q2ZK5F81
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM86226
PNG
(P52)
Show SMILES [#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C40H53N11O8/c41-22-33(53)46-23-34(54)47-30(20-26-13-6-2-7-14-26)37(57)51-32(24-52)39(59)50-31(21-27-15-8-3-9-16-27)38(58)48-28(17-10-18-45-40(43)44)36(56)49-29(35(42)55)19-25-11-4-1-5-12-25/h1-9,11-16,28-32,52H,10,17-24,41H2,(H2,42,55)(H,46,53)(H,47,54)(H,48,58)(H,49,56)(H,50,59)(H,51,57)(H4,43,44,45)/t28-,29?,30-,31-,32-/m0/s1
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245n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 278: 27652-7 (2003)


Article DOI: 10.1074/jbc.M302945200
BindingDB Entry DOI: 10.7270/Q2ZK5F81
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM86224
PNG
(P513)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C46H65N13O9/c47-21-11-10-19-32(48)41(64)54-26-38(61)53-27-39(62)55-35(24-30-15-6-2-7-16-30)43(66)59-37(28-60)45(68)58-36(25-31-17-8-3-9-18-31)44(67)56-33(20-12-22-52-46(50)51)42(65)57-34(40(49)63)23-29-13-4-1-5-14-29/h1-9,13-18,32-37,60H,10-12,19-28,47-48H2,(H2,49,63)(H,53,61)(H,54,64)(H,55,62)(H,56,67)(H,57,65)(H,58,68)(H,59,66)(H4,50,51,52)/t32-,33-,34?,35-,36-,37-/m0/s1
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258n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 278: 27652-7 (2003)


Article DOI: 10.1074/jbc.M302945200
BindingDB Entry DOI: 10.7270/Q2ZK5F81
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM86227
PNG
(P552)
Show SMILES CCC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(N)=O |r,wU:43.42,97.97,162.163,89.89,59.62,12.17,106.106,4.4,179.180,134.134,29.29,153.155,wD:21.25,113.113,34.39,168.169,190.192,74.74,8.8,123.123,50.56,143.143,65.67,(15.4,8.93,;15.4,7.34,;14.08,6.6,;12.74,7.37,;14.08,5.02,;12.7,4.28,;11.38,5.02,;11.38,6.6,;10.06,4.28,;8.69,5.02,;7.37,4.28,;7.37,2.69,;6.05,5.02,;6.05,6.6,;7.37,7.34,;7.37,8.93,;6.03,9.7,;8.7,9.7,;4.67,4.28,;3.35,5.02,;3.35,6.6,;1.98,4.28,;1.98,2.69,;.89,1.6,;-.65,1.6,;1.66,.27,;.66,5.02,;-.66,4.28,;-.66,2.69,;-2.03,5.02,;-2.03,6.56,;-3.35,4.28,;-4.73,5.02,;-4.73,6.6,;-6.05,4.28,;-6.05,2.69,;-4.73,1.95,;-4.73,.41,;-6.06,-.36,;-3.39,-.36,;-7.37,5.02,;-8.74,4.28,;-8.74,2.69,;-10.12,5.12,;-10.54,6.66,;-12.12,6.66,;-12.6,5.12,;-11.33,4.28,;-11.33,2.75,;-10.01,1.95,;-12.7,1.95,;-12.7,.41,;-11.22,.02,;-10.82,-1.47,;-11.59,-2.81,;-9.28,-1.47,;-14.02,2.75,;-15.34,2.01,;-15.34,.48,;-16.72,2.75,;-16.72,4.28,;-15.34,5.07,;-18.04,2.01,;-19.36,2.8,;-19.36,4.33,;-20.73,2.06,;-20.73,.48,;-22.05,2.8,;10.06,2.69,;8.73,1.92,;11.4,1.92,;15.4,4.28,;15.4,2.69,;16.77,5.02,;18.09,4.28,;18.09,2.69,;19.43,1.92,;19.43,.38,;18.09,-.39,;16.76,.38,;16.76,1.92,;15.42,-.39,;19.41,5.02,;19.41,6.6,;20.79,4.28,;22.11,5.02,;23.43,4.28,;24.8,5.02,;23.43,2.69,;24.8,1.95,;26.12,2.69,;27.48,1.96,;27.48,.42,;28.81,2.73,;24.8,.37,;26.12,-.37,;23.43,-.37,;23.43,-1.95,;24.8,-2.69,;26.14,-1.94,;27.48,-2.71,;28.81,-1.94,;27.48,-4.25,;22.11,-2.69,;20.79,-1.9,;22.11,-4.28,;20.79,-5.02,;20.79,-6.55,;19.41,-7.34,;22.12,-7.32,;19.41,-4.23,;19.41,-2.69,;18.09,-5.02,;16.77,-4.23,;16.77,-2.69,;15.4,-1.9,;15.4,-5.02,;15.4,-6.55,;14.08,-4.23,;12.7,-5.02,;11.38,-4.23,;11.38,-2.69,;10.06,-5.02,;8.69,-4.23,;8.69,-2.69,;10.06,-1.9,;10.06,-.37,;8.69,.42,;7.37,-.37,;6.05,.42,;7.37,-1.9,;7.37,-5.02,;7.37,-6.55,;6.05,-4.23,;4.67,-5.02,;4.67,-6.55,;6.05,-7.34,;6.05,-8.87,;4.67,-9.67,;7.38,-9.64,;3.35,-4.23,;3.35,-2.69,;1.98,-5.02,;.66,-4.23,;.66,-2.69,;-.67,-1.92,;-.2,-.45,;-1.44,.45,;-2.69,-.45,;-2.21,-1.92,;-.66,-5.02,;-.66,-6.55,;-2.03,-4.23,;-3.35,-5.02,;-3.35,-6.56,;-4.73,-4.23,;-4.73,-2.69,;-6.05,-5.02,;-7.37,-4.23,;-8.74,-5.02,;-8.74,-6.55,;-10.06,-4.23,;-11.38,-5.02,;-11.38,-6.55,;-12.72,-7.32,;-12.76,-4.23,;-12.76,-2.69,;-14.08,-5.02,;-15.45,-4.23,;-15.45,-2.69,;-16.77,-1.9,;-18.09,-2.64,;-19.18,-1.55,;-20.67,-1.15,;-21.76,-2.24,;-21.44,.18,;-16.77,-5.02,;-16.77,-6.55,;-18.09,-4.23,;-19.46,-5.02,;-19.46,-6.55,;-20.8,-7.32,;-22.13,-6.55,;-23.47,-7.32,;-23.47,-8.86,;-22.13,-9.63,;-20.8,-8.86,;-20.79,-4.23,;-20.79,-2.69,;-22.11,-5.02,;-23.48,-4.23,;-23.48,-2.69,;-24.8,-1.9,;-24.8,-.37,;-26.13,.4,;-27.47,-.37,;-28.8,.4,;-27.47,-1.91,;-24.8,-4.97,;-24.8,-6.55,;-26.17,-4.23,;-27.51,-5,;-27.51,-6.54,;-28.84,-7.31,;-30.17,-6.54,;-31.51,-7.31,;-31.51,-8.85,;-30.17,-9.62,;-28.84,-8.85,;-28.84,-4.23,;-30.17,-5,;-28.84,-2.69,)|
Show InChI InChI=1S/C131H215N45O35S/c1-15-68(10)102(174-124(208)101(67(8)9)173-115(199)80(37-36-64(2)3)162-119(203)87(52-66(6)7)168-107(191)71(13)155-110(194)81(38-42-94(133)180)164-123(207)93-35-26-50-176(93)127(211)84(40-44-96(135)182)166-121(205)91(61-178)171-105(189)69(11)132)125(209)165-76(31-22-46-146-128(137)138)108(192)151-59-98(184)157-86(51-65(4)5)118(202)163-82(39-43-95(134)181)116(200)175-103(72(14)179)126(210)172-90(60-177)109(193)152-58-97(183)156-77(32-23-47-147-129(139)140)111(195)161-83(41-45-100(186)187)114(198)170-89(55-75-56-145-63-153-75)117(201)154-70(12)106(190)150-57-99(185)158-92(62-212)122(206)160-79(34-25-49-149-131(143)144)113(197)169-88(54-74-29-20-17-21-30-74)120(204)159-78(33-24-48-148-130(141)142)112(196)167-85(104(136)188)53-73-27-18-16-19-28-73/h16-21,27-30,56,63-72,76-93,101-103,177-179,212H,15,22-26,31-55,57-62,132H2,1-14H3,(H2,133,180)(H2,134,181)(H2,135,182)(H2,136,188)(H,145,153)(H,150,190)(H,151,192)(H,152,193)(H,154,201)(H,155,194)(H,156,183)(H,157,184)(H,158,185)(H,159,204)(H,160,206)(H,161,195)(H,162,203)(H,163,202)(H,164,207)(H,165,209)(H,166,205)(H,167,196)(H,168,191)(H,169,197)(H,170,198)(H,171,189)(H,172,210)(H,173,199)(H,174,208)(H,175,200)(H,186,187)(H4,137,138,146)(H4,139,140,147)(H4,141,142,148)(H4,143,144,149)/t68?,69-,70-,71-,72?,76-,77-,78-,79-,80-,81-,82-,83-,84-,85?,86-,87-,88-,89-,90-,91-,92-,93-,101-,102-,103-/m0/s1
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607n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 278: 27652-7 (2003)


Article DOI: 10.1074/jbc.M302945200
BindingDB Entry DOI: 10.7270/Q2ZK5F81
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM86225
PNG
(P51)
Show SMILES C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(N)=O |r,wU:29.29,46.46,15.16,1.0,wD:35.35,57.58,5.12,(-3.35,-6.56,;-3.35,-5.02,;-2.03,-4.23,;-.66,-5.02,;-.66,-6.55,;.66,-4.23,;.66,-2.69,;-.67,-1.92,;-.2,-.45,;-1.44,.45,;-2.69,-.45,;-2.21,-1.92,;1.98,-5.02,;3.35,-4.23,;3.35,-2.69,;4.67,-5.02,;6.05,-4.23,;4.67,-6.55,;6.05,-7.34,;6.05,-8.87,;4.67,-9.67,;7.38,-9.64,;-4.73,-4.23,;-4.73,-2.69,;-6.05,-5.02,;-7.37,-4.23,;-8.74,-5.02,;-8.74,-6.55,;-10.06,-4.23,;-11.38,-5.02,;-11.38,-6.55,;-12.72,-7.32,;-12.76,-4.23,;-12.76,-2.69,;-14.08,-5.02,;-15.45,-4.23,;-15.45,-2.69,;-16.77,-1.9,;-16.77,-.36,;-18.1,.41,;-19.44,-.36,;-19.44,-1.9,;-20.53,.73,;-16.77,-5.02,;-16.77,-6.55,;-18.09,-4.23,;-19.46,-5.02,;-19.46,-6.55,;-20.8,-7.32,;-22.13,-6.55,;-23.47,-7.32,;-23.47,-8.86,;-22.13,-9.63,;-20.8,-8.86,;-20.79,-4.23,;-20.79,-2.69,;-22.11,-5.02,;-23.48,-4.23,;-23.48,-2.69,;-24.8,-1.9,;-24.8,-.37,;-26.13,.4,;-27.47,-.37,;-28.8,.4,;-27.47,-1.91,;-24.8,-4.97,;-24.8,-6.55,;-26.17,-4.23,;-27.51,-5,;-27.51,-6.54,;-28.84,-7.31,;-30.17,-6.54,;-31.51,-7.31,;-31.51,-8.85,;-30.17,-9.62,;-28.84,-8.85,;-28.84,-4.23,;-30.17,-5,;-28.84,-2.69,)|
Show InChI InChI=1S/C49H72N18O11S/c1-27(61-45(76)36(22-30-23-56-26-60-30)66-42(73)31(50)16-17-39(69)70)41(72)59-24-38(68)62-37(25-79)47(78)64-33(15-9-19-58-49(54)55)44(75)67-35(21-29-12-6-3-7-13-29)46(77)63-32(14-8-18-57-48(52)53)43(74)65-34(40(51)71)20-28-10-4-2-5-11-28/h2-7,10-13,23,26-27,31-37,79H,8-9,14-22,24-25,50H2,1H3,(H2,51,71)(H,56,60)(H,59,72)(H,61,76)(H,62,68)(H,63,77)(H,64,78)(H,65,74)(H,66,73)(H,67,75)(H,69,70)(H4,52,53,57)(H4,54,55,58)/t27-,31-,32-,33-,34?,35-,36-,37-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 278: 27652-7 (2003)


Article DOI: 10.1074/jbc.M302945200
BindingDB Entry DOI: 10.7270/Q2ZK5F81
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM86229
PNG
(YGGFMRF-amide)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C42H57N11O8S/c1-62-20-18-32(40(60)51-31(13-8-19-47-42(45)46)39(59)53-33(37(44)57)22-26-9-4-2-5-10-26)52-41(61)34(23-27-11-6-3-7-12-27)50-36(56)25-48-35(55)24-49-38(58)30(43)21-28-14-16-29(54)17-15-28/h2-7,9-12,14-17,30-34,54H,8,13,18-25,43H2,1H3,(H2,44,57)(H,48,55)(H,49,58)(H,50,56)(H,51,60)(H,52,61)(H,53,59)(H4,45,46,47)/t30-,31-,32-,33?,34-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 278: 27652-7 (2003)


Article DOI: 10.1074/jbc.M302945200
BindingDB Entry DOI: 10.7270/Q2ZK5F81
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129287
PNG
(US8815951, 104)
Show SMILES O=C(NCCCc1ccccc1)NC1CCCCC1
Show InChI InChI=1S/C16H24N2O/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H2,17,18,19)
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n/an/a 40n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129278
PNG
(US8815951, 543)
Show SMILES O=C(NC1CC2CCC1C2)NC1CCCCC1 |TLB:2:3:7.6:9|
Show InChI InChI=1S/C14H24N2O/c17-14(15-12-4-2-1-3-5-12)16-13-9-10-6-7-11(13)8-10/h10-13H,1-9H2,(H2,15,16,17)
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n/an/a 50n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM25732
PNG
(3-adamantan-1-yl-1-cyclohexylurea | CHEMBL242255 |...)
Show SMILES O=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:12:19:16.15.18,17:16:12.13.11:19,THB:15:14:11:16.17.18,15:16:11:14.13.19|
Show InChI InChI=1S/C17H28N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H2,18,19,20)
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n/an/a 50n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129279
PNG
(US8815951, 427)
Show SMILES O=C(NC1CCCCC1)NC1C2CC3CC(C2)CC1C3 |TLB:9:10:12:15.14.16,THB:17:15:12:10.18.19,17:18:12:15.14.16,14:15:10:12.13.19,14:13:10:15.17.16,(-.81,.96,;-.81,-.58,;-2.14,-1.35,;-3.48,-.58,;-3.48,.96,;-4.81,1.73,;-6.15,.96,;-6.15,-.58,;-4.81,-1.35,;.52,-1.35,;1.86,-.58,;3.17,1.03,;3.58,2.51,;5.07,2.89,;6.15,1.8,;5.73,.31,;4.25,-.07,;4.35,-1.3,;3.37,-.34,;4.03,1.97,)|
Show InChI InChI=1S/C17H28N2O/c20-17(18-15-4-2-1-3-5-15)19-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,1-10H2,(H2,18,19,20)
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n/an/a 50n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129280
PNG
(US8815951, 358)
Show SMILES CC(NC(=O)NC1CCCCC1)C1C2CC3CC(C2)CC1C3 |TLB:1:12:14:17.16.18,THB:19:17:14:12.20.21,19:20:14:17.16.18,1:12:17.19.18:14.15.21,16:17:12:14.15.21,16:15:12:17.19.18,(.95,1.54,;.95,,;-.38,-.77,;-1.71,,;-1.71,1.54,;-3.05,-.77,;-4.38,,;-4.38,1.54,;-5.71,2.31,;-7.05,1.54,;-7.05,,;-5.71,-.77,;2.29,-.77,;3.97,.44,;4.75,1.77,;6.29,1.75,;7.05,.42,;6.26,-.91,;4.73,-.9,;4.51,-2.11,;3.82,-.92,;5.05,1.13,)|
Show InChI InChI=1S/C19H32N2O/c1-12(20-19(22)21-17-5-3-2-4-6-17)18-15-8-13-7-14(10-15)11-16(18)9-13/h12-18H,2-11H2,1H3,(H2,20,21,22)
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n/an/a 50n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129281
PNG
(US8815951, 435)
Show SMILES Cc1cccc(C)c1NC(=O)NC1CCCCC1
Show InChI InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)17-15(18)16-13-9-4-3-5-10-13/h6-8,13H,3-5,9-10H2,1-2H3,(H2,16,17,18)
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The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129282
PNG
(US8815951, 270)
Show SMILES O=C(NCc1ccccc1)NC1CCCCC1
Show InChI InChI=1S/C14H20N2O/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H2,15,16,17)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129283
PNG
(US8815951, 544)
Show SMILES C[C@H](NC(=O)NC1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C15H22N2O/c1-12(13-8-4-2-5-9-13)16-15(18)17-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H2,16,17,18)/t12-/m0/s1
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129284
PNG
(US8815951, 545)
Show SMILES C[C@@H](NC(=O)NC1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C15H22N2O/c1-12(13-8-4-2-5-9-13)16-15(18)17-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H2,16,17,18)/t12-/m1/s1
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129285
PNG
(US8815951, 437)
Show SMILES O=C(NCC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:10:11:14:18.17.16,20:11:18:14.15.16,THB:19:11:14:18.17.16,19:17:14:11.20.12,20:15:18:11.19.12|
Show InChI InChI=1S/C18H30N2O/c21-17(19-12-13-4-2-1-3-5-13)20-18-9-14-6-15(10-18)8-16(7-14)11-18/h13-16H,1-12H2,(H2,19,20,21)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129288
PNG
(US8815951, 105)
Show SMILES O=C(NCCCCc1ccccc1)NC1CCCCC1
Show InChI InChI=1S/C17H26N2O/c20-17(19-16-12-5-2-6-13-16)18-14-8-7-11-15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2,(H2,18,19,20)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129291
PNG
(US8815951, 434)
Show SMILES O=C(NC1CCCCC1)NC1CCCc2ccccc12
Show InChI InChI=1S/C17H24N2O/c20-17(18-14-9-2-1-3-10-14)19-16-12-6-8-13-7-4-5-11-15(13)16/h4-5,7,11,14,16H,1-3,6,8-10,12H2,(H2,18,19,20)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129295
PNG
(US8815951, 140)
Show SMILES O=C(NC1CCCCC1)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O2/c22-19(20-15-7-3-1-4-8-15)21-16-11-13-18(14-12-16)23-17-9-5-2-6-10-17/h2,5-6,9-15H,1,3-4,7-8H2,(H2,20,21,22)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129297
PNG
(US8815951, 384)
Show SMILES COc1ccc(CCNC(=O)NC2CCCCC2)cc1OC
Show InChI InChI=1S/C17H26N2O3/c1-21-15-9-8-13(12-16(15)22-2)10-11-18-17(20)19-14-6-4-3-5-7-14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H2,18,19,20)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM50383484
PNG
(CHEMBL2031931 | US8815951, 343)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-8-6-11(7-9-12)19-13(20)18-10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,18,19,20)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM50383505
PNG
(CHEMBL2031932 | US8815951, 501)
Show SMILES CCCCCCc1ccc(NC(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C19H30N2O/c1-2-3-4-6-9-16-12-14-18(15-13-16)21-19(22)20-17-10-7-5-8-11-17/h12-15,17H,2-11H2,1H3,(H2,20,21,22)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129301
PNG
(US8815951, 193)
Show SMILES Clc1ccc(CNC(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C14H19ClN2O/c15-12-8-6-11(7-9-12)10-16-14(18)17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H2,16,17,18)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129306
PNG
(US8815951, 379)
Show SMILES Nc1ccc(CNC(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C14H21N3O/c15-12-8-6-11(7-9-12)10-16-14(18)17-13-4-2-1-3-5-13/h6-9,13H,1-5,10,15H2,(H2,16,17,18)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129307
PNG
(US8815951, 362)
Show SMILES CN(C)c1ccc(NC(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C15H23N3O/c1-18(2)14-10-8-13(9-11-14)17-15(19)16-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H2,16,17,19)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129310
PNG
(US8815951, 411)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:17.18.19,13:14:17:21.20.19,2:3:6:10.9.8,12:3:10:6.7.8,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15,12:7:10:3.11.4,11:3:6:10.9.8,11:9:6:3.12.4|
Show InChI InChI=1S/C21H32N2O/c24-19(22-20-7-13-1-14(8-20)3-15(2-13)9-20)23-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H2,22,23,24)
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US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129311
PNG
(US8815951, 412)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:17.18.19,13:14:17:21.20.19,13:14:21:17.18.19,12:3:10:6.7.8,THB:23:18:21:14.22.15,2:3:10:6.7.8,22:14:17:21.20.19,22:20:17:14.23.15,12:7:10:3.11.4,11:3:6:10.9.8,11:9:6:3.12.4|
Show InChI InChI=1S/C21H32N2O/c24-19(22-20-7-13-1-14(8-20)3-15(2-13)9-20)23-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H2,22,23,24)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129312
PNG
(US8815951, 413)
Show SMILES O=C(NC1CCCCCCCCCCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:25:16:23:19.20.21,THB:15:16:23:19.20.21,25:20:23:16.24.17,24:16:19:23.22.21,24:22:19:16.25.17|
Show InChI InChI=1S/C23H40N2O/c26-22(24-21-10-8-6-4-2-1-3-5-7-9-11-21)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-21H,1-17H2,(H2,24,25,26)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM50383476
PNG
(CHEMBL2031923 | US8815951, 438)
Show SMILES O=C(NCCCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Show InChI InChI=1S/C20H28N2O/c23-19(21-8-4-7-15-5-2-1-3-6-15)22-20-12-16-9-17(13-20)11-18(10-16)14-20/h1-3,5-6,16-18H,4,7-14H2,(H2,21,22,23)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129322
PNG
(US8815951, 257)
Show SMILES Clc1ccc(cc1)C(=O)NC(=O)NC1CCCCC1
Show InChI InChI=1S/C14H17ClN2O2/c15-11-8-6-10(7-9-11)13(18)17-14(19)16-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H2,16,17,18,19)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129223
PNG
(US8815951, 262)
Show SMILES O=C(NC1CCCCC1)OCc1cccc2ccccc12
Show InChI InChI=1S/C18H21NO2/c20-18(19-16-10-2-1-3-11-16)21-13-15-9-6-8-14-7-4-5-12-17(14)15/h4-9,12,16H,1-3,10-11,13H2,(H,19,20)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129228
PNG
(US8815951, 187)
Show SMILES O=C(CC1CCCCC1)NC1CCCCC1
Show InChI InChI=1S/C14H25NO/c16-14(11-12-7-3-1-4-8-12)15-13-9-5-2-6-10-13/h12-13H,1-11H2,(H,15,16)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129249
PNG
(US8815951, 478)
Show SMILES CCCCCCCCCCCCNC(=O)NCC(C)C
Show InChI InChI=1S/C17H36N2O/c1-4-5-6-7-8-9-10-11-12-13-14-18-17(20)19-15-16(2)3/h16H,4-15H2,1-3H3,(H2,18,19,20)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129255
PNG
(US8815951, 124)
Show SMILES CC(C)(C)OC(=O)NCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)16-10-9-15-12(18)17-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,16,19)(H2,15,17,18)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129258
PNG
(US8815951, 344)
Show SMILES OCCCCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C13H26N2O2/c16-11-7-2-1-6-10-14-13(17)15-12-8-4-3-5-9-12/h12,16H,1-11H2,(H2,14,15,17)
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Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129259
PNG
(US8815951, 508)
Show SMILES CCCCCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C14H28N2O/c1-2-3-4-5-9-12-15-14(17)16-13-10-7-6-8-11-13/h13H,2-12H2,1H3,(H2,15,16,17)
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The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129260
PNG
(US8815951, 473)
Show SMILES CCCCCCCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C16H32N2O/c1-2-3-4-5-6-7-11-14-17-16(19)18-15-12-9-8-10-13-15/h15H,2-14H2,1H3,(H2,17,18,19)
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The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129261
PNG
(US8815951, 297)
Show SMILES CCCCCCCCCCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C19H38N2O/c1-2-3-4-5-6-7-8-9-10-14-17-20-19(22)21-18-15-12-11-13-16-18/h18H,2-17H2,1H3,(H2,20,21,22)
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The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129262
PNG
(US8815951, 425)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C19H36N2O3/c22-18(23)15-11-6-4-2-1-3-5-7-12-16-20-19(24)21-17-13-9-8-10-14-17/h17H,1-16H2,(H,22,23)(H2,20,21,24)
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The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129263
PNG
(US8815951, 354)
Show SMILES CCCCCCCCCCCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C20H40N2O/c1-2-3-4-5-6-7-8-9-10-11-15-18-21-20(23)22-19-16-13-12-14-17-19/h19H,2-18H2,1H3,(H2,21,22,23)
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The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129266
PNG
(US8815951, 538)
Show SMILES CC1CCC(CC1)NC(=O)NC1CCCCC1 |(6,2.31,;4.67,1.54,;4.67,,;3.33,-.77,;2,,;2,1.54,;3.33,2.31,;.67,-.77,;-.67,,;-.67,1.54,;-2,-.77,;-3.33,,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-6,,;-4.67,-.77,)|
Show InChI InChI=1S/C14H26N2O/c1-11-7-9-13(10-8-11)16-14(17)15-12-5-3-2-4-6-12/h11-13H,2-10H2,1H3,(H2,15,16,17)
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The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129267
PNG
(US8815951, 551)
Show SMILES CC1CCCCC1NC(=O)NC1CCCCC1
Show InChI InChI=1S/C14H26N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h11-13H,2-10H2,1H3,(H2,15,16,17)
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The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129269
PNG
(US8815951, 360)
Show SMILES O=C(NCCC1CCCCC1)NC1CCCCC1
Show InChI InChI=1S/C15H28N2O/c18-15(17-14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h13-14H,1-12H2,(H2,16,17,18)
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The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129270
PNG
(US8815951, 359)
Show SMILES O=C(NCCC1=CCCCC1)NC1CCCCC1 |t:5|
Show InChI InChI=1S/C15H26N2O/c18-15(17-14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h7,14H,1-6,8-12H2,(H2,16,17,18)
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The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129272
PNG
(US8815951, 533)
Show SMILES O=C(NC1CCCCC1)Nc1nnn[nH]1
Show InChI InChI=1S/C8H14N6O/c15-8(10-7-11-13-14-12-7)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,9,10,11,12,13,14,15)
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The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129275
PNG
(US8815951, 428)
Show SMILES CC(C)(C)C1CCC(CC1)NC(=O)NC1CCCCC1 |(5.66,3.05,;5.26,1.57,;6.35,.48,;6.75,1.96,;3.92,.8,;3.92,-.74,;2.59,-1.51,;1.26,-.74,;1.26,.8,;2.59,1.57,;-.08,-1.51,;-1.41,-.74,;-1.41,.8,;-2.74,-1.51,;-4.08,-.74,;-4.08,.8,;-5.41,1.57,;-6.75,.8,;-6.75,-.74,;-5.41,-1.51,)|
Show InChI InChI=1S/C17H32N2O/c1-17(2,3)13-9-11-15(12-10-13)19-16(20)18-14-7-5-4-6-8-14/h13-15H,4-12H2,1-3H3,(H2,18,19,20)
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The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM129276
PNG
(US8815951, 22)
Show SMILES O=C(NC1CCCCC1)NC1CCCCCC1
Show InChI InChI=1S/C14H26N2O/c17-14(16-13-10-6-3-7-11-13)15-12-8-4-1-2-5-9-12/h12-13H,1-11H2,(H2,15,16,17)
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The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Mus musculus (Mouse))
BDBM41921
PNG
(1-cyclohexyl-3-cyclooctyl-urea | 1-cyclohexyl-3-cy...)
Show SMILES O=C(NC1CCCCC1)NC1CCCCCCC1
Show InChI InChI=1S/C15H28N2O/c18-15(17-14-11-7-4-8-12-14)16-13-9-5-2-1-3-6-10-13/h13-14H,1-12H2,(H2,16,17,18)
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The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
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