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Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'floc''h' and Initial = 'm'   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359779
PNG
(CHEMBL1928271)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCC2CC2)c(c1)-c1nc2c(CC)n(CCN3CCOCC3)nc2c(=O)[nH]1
Show InChI InChI=1S/C28H40N8O5S/c1-3-23-24-25(32-36(23)12-9-34-13-15-40-16-14-34)27(37)31-26(30-24)22-17-21(18-29-28(22)41-19-20-5-6-20)42(38,39)35-10-7-33(4-2)8-11-35/h17-18,20H,3-16,19H2,1-2H3,(H,30,31,37)
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n/an/a 0.260n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359773
PNG
(CHEMBL1928265)
Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CCN(CC1)S(C)(=O)=O)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C28H42N8O6S2/c1-5-8-17-42-28-22(18-21(19-29-28)44(40,41)35-15-13-33(7-3)14-16-35)26-30-24-23(6-2)36(32-25(24)27(37)31-26)20-9-11-34(12-10-20)43(4,38)39/h18-20H,5-17H2,1-4H3,(H,30,31,37)
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n/an/a 0.310n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359795
PNG
(CHEMBL1928258)
Show SMILES CCCOc1ncc(cc1-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C24H35N7O5S/c1-5-13-36-24-18(15-17(16-25-24)37(33,34)30-10-8-29(7-3)9-11-30)22-26-20-19(6-2)31(12-14-35-4)28-21(20)23(32)27-22/h15-16H,5-14H2,1-4H3,(H,26,27,32)
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n/an/a 0.690n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359767
PNG
(CHEMBL1928259)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCC(C)C)c(c1)-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1
Show InChI InChI=1S/C25H37N7O5S/c1-6-20-21-22(29-32(20)12-13-36-5)24(33)28-23(27-21)19-14-18(15-26-25(19)37-16-17(3)4)38(34,35)31-10-8-30(7-2)9-11-31/h14-15,17H,6-13,16H2,1-5H3,(H,27,28,33)
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n/an/a 0.690n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359774
PNG
(CHEMBL1928266)
Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CCN(C)CC1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C28H42N8O4S/c1-5-8-17-40-28-22(18-21(19-29-28)41(38,39)35-15-13-34(7-3)14-16-35)26-30-24-23(6-2)36(32-25(24)27(37)31-26)20-9-11-33(4)12-10-20/h18-20H,5-17H2,1-4H3,(H,30,31,37)
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n/an/a 0.740n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359768
PNG
(CHEMBL1928260)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCc2ccccn2)c(c1)-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1
Show InChI InChI=1S/C27H34N8O5S/c1-4-22-23-24(32-35(22)14-15-39-3)26(36)31-25(30-23)21-16-20(41(37,38)34-12-10-33(5-2)11-13-34)17-29-27(21)40-18-19-8-6-7-9-28-19/h6-9,16-17H,4-5,10-15,18H2,1-3H3,(H,30,31,36)
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n/an/a 0.75n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359777
PNG
(CHEMBL1928269)
Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CN(C)C1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C26H38N8O4S/c1-5-8-13-38-26-20(14-19(15-27-26)39(36,37)33-11-9-32(7-3)10-12-33)24-28-22-21(6-2)34(18-16-31(4)17-18)30-23(22)25(35)29-24/h14-15,18H,5-13,16-17H2,1-4H3,(H,28,29,35)
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n/an/a 0.780n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359778
PNG
(CHEMBL1928270)
Show SMILES CCOc1ncc(cc1-c1nc2c(CC)n(CCN3CCOCC3)nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C26H38N8O5S/c1-4-21-22-23(30-34(21)12-9-32-13-15-38-16-14-32)25(35)29-24(28-22)20-17-19(18-27-26(20)39-6-3)40(36,37)33-10-7-31(5-2)8-11-33/h17-18H,4-16H2,1-3H3,(H,28,29,35)
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n/an/a 0.860n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359771
PNG
(CHEMBL1928263)
Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(CCN(C)C)nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C26H40N8O4S/c1-6-9-16-38-26-20(17-19(18-27-26)39(36,37)33-13-11-32(8-3)12-14-33)24-28-22-21(7-2)34(15-10-31(4)5)30-23(22)25(35)29-24/h17-18H,6-16H2,1-5H3,(H,28,29,35)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359790
PNG
(CHEMBL1928253)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(CC3CC3)nc2c(=O)[nH]1
Show InChI InChI=1S/C25H35N7O5S/c1-4-20-21-22(29-32(20)16-17-6-7-17)24(33)28-23(27-21)19-14-18(15-26-25(19)37-13-12-36-3)38(34,35)31-10-8-30(5-2)9-11-31/h14-15,17H,4-13,16H2,1-3H3,(H,27,28,33)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359789
PNG
(CHEMBL1928252)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(CC(C)C)nc2c(=O)[nH]1
Show InChI InChI=1S/C25H37N7O5S/c1-6-20-21-22(29-32(20)16-17(3)4)24(33)28-23(27-21)19-14-18(15-26-25(19)37-13-12-36-5)38(34,35)31-10-8-30(7-2)9-11-31/h14-15,17H,6-13,16H2,1-5H3,(H,27,28,33)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50246483
PNG
(3-ethyl-5-(5-(4-ethylpiperazin-1-ylsulfonyl)-2-pro...)
Show SMILES CCCOc1ncc(cc1-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C27H34N8O4S/c1-4-15-39-27-21(16-20(17-29-27)40(37,38)34-13-11-33(6-3)12-14-34)25-30-23-22(5-2)35(32-24(23)26(36)31-25)18-19-9-7-8-10-28-19/h7-10,16-17H,4-6,11-15,18H2,1-3H3,(H,30,31,36)
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359770
PNG
(CHEMBL1928262)
Show SMILES CCOc1ncc(cc1-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H33N7O5S/c1-5-18-19-20(27-30(18)12-13-34-4)22(31)26-21(25-19)17-14-16(15-24-23(17)35-7-3)36(32,33)29-10-8-28(6-2)9-11-29/h14-15H,5-13H2,1-4H3,(H,25,26,31)
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
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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n/an/a 1.30n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]26RFa from human GPR103 expressed in HEK293 cells incubated for 1 h by gamma counter based method


J Med Chem 55: 7516-24 (2012)


Article DOI: 10.1021/jm300507d
BindingDB Entry DOI: 10.7270/Q2K35VSG
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359780
PNG
(CHEMBL1928272)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(CCN3CCOCC3)nc2c(=O)[nH]1
Show InChI InChI=1S/C27H40N8O6S/c1-4-22-23-24(31-35(22)11-8-33-12-14-40-15-13-33)26(36)30-25(29-23)21-18-20(19-28-27(21)41-17-16-39-3)42(37,38)34-9-6-32(5-2)7-10-34/h18-19H,4-17H2,1-3H3,(H,29,30,36)
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359787
PNG
(CHEMBL1928250)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(nc2c(=O)[nH]1)C(C)C
Show InChI InChI=1S/C24H35N7O5S/c1-6-19-20-21(28-31(19)16(3)4)23(32)27-22(26-20)18-14-17(15-25-24(18)36-13-12-35-5)37(33,34)30-10-8-29(7-2)9-11-30/h14-16H,6-13H2,1-5H3,(H,26,27,32)
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359769
PNG
(CHEMBL1928261)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1
Show InChI InChI=1S/C24H35N7O6S/c1-5-19-20-21(28-31(19)11-12-35-3)23(32)27-22(26-20)18-15-17(16-25-24(18)37-14-13-36-4)38(33,34)30-9-7-29(6-2)8-10-30/h15-16H,5-14H2,1-4H3,(H,26,27,32)
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359791
PNG
(CHEMBL1928254)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C26H37N7O6S/c1-4-21-22-23(30-33(21)18-6-12-38-13-7-18)25(34)29-24(28-22)20-16-19(17-27-26(20)39-15-14-37-3)40(35,36)32-10-8-31(5-2)9-11-32/h16-18H,4-15H2,1-3H3,(H,28,29,34)
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359786
PNG
(CHEMBL1928249)
Show SMILES CCCn1nc2c(nc([nH]c2=O)-c2cc(cnc2OCCOC)S(=O)(=O)N2CCN(CC)CC2)c1CC
Show InChI InChI=1S/C24H35N7O5S/c1-5-8-31-19(6-2)20-21(28-31)23(32)27-22(26-20)18-15-17(16-25-24(18)36-14-13-35-4)37(33,34)30-11-9-29(7-3)10-12-30/h15-16H,5-14H2,1-4H3,(H,26,27,32)
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359788
PNG
(CHEMBL1928251)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CCC1
Show InChI InChI=1S/C25H35N7O5S/c1-4-20-21-22(29-32(20)17-7-6-8-17)24(33)28-23(27-21)19-15-18(16-26-25(19)37-14-13-36-3)38(34,35)31-11-9-30(5-2)10-12-31/h15-17H,4-14H2,1-3H3,(H,27,28,33)
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359772
PNG
(CHEMBL1928264)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCC(C)C)c(c1)-c1nc2c(CC)n(CCCN(C)C)nc2c(=O)[nH]1
Show InChI InChI=1S/C27H42N8O4S/c1-7-22-23-24(31-35(22)11-9-10-32(5)6)26(36)30-25(29-23)21-16-20(17-28-27(21)39-18-19(3)4)40(37,38)34-14-12-33(8-2)13-15-34/h16-17,19H,7-15,18H2,1-6H3,(H,29,30,36)
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359782
PNG
(CHEMBL1928274)
Show SMILES CCCOc1ncc(cc1-c1nc2c3CCCCn3nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H31N7O4S/c1-3-13-34-23-17(14-16(15-24-23)35(32,33)29-11-9-28(4-2)10-12-29)21-25-19-18-7-5-6-8-30(18)27-20(19)22(31)26-21/h14-15H,3-13H2,1-2H3,(H,25,26,31)
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359785
PNG
(CHEMBL1928277)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c3C(C)CCCn3nc2c(=O)[nH]1
Show InChI InChI=1S/C24H33N7O5S/c1-4-29-8-10-30(11-9-29)37(33,34)17-14-18(24(25-15-17)36-13-12-35-3)22-26-19-20(23(32)27-22)28-31-7-5-6-16(2)21(19)31/h14-16H,4-13H2,1-3H3,(H,26,27,32)
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n/an/a 2.76n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359793
PNG
(CHEMBL1928256)
Show SMILES CCc1n(CC(C)C)nc2c1nc([nH]c2=O)-c1cc(cnc1OCCOC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H35N7O5S/c1-6-19-20-21(28-31(19)15-16(2)3)23(32)27-22(26-20)18-13-17(14-25-24(18)36-12-11-35-5)37(33,34)30-9-7-29(4)8-10-30/h13-14,16H,6-12,15H2,1-5H3,(H,26,27,32)
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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359784
PNG
(CHEMBL1928276)
Show SMILES CCOc1ncc(cc1-c1nc2c3C(C)CCCn3nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H31N7O4S/c1-4-28-9-11-29(12-10-28)35(32,33)16-13-17(23(24-14-16)34-5-2)21-25-18-19(22(31)26-21)27-30-8-6-7-15(3)20(18)30/h13-15H,4-12H2,1-3H3,(H,25,26,31)
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n/an/a 3.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359792
PNG
(CHEMBL1928255)
Show SMILES CCCn1nc2c(nc([nH]c2=O)-c2cc(cnc2OCCOC)S(=O)(=O)N2CCN(C)CC2)c1CC
Show InChI InChI=1S/C23H33N7O5S/c1-5-7-30-18(6-2)19-20(27-30)22(31)26-21(25-19)17-14-16(15-24-23(17)35-13-12-34-4)36(32,33)29-10-8-28(3)9-11-29/h14-15H,5-13H2,1-4H3,(H,25,26,31)
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n/an/a 4.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359776
PNG
(CHEMBL1928268)
Show SMILES CCOc1ncc(cc1C(=O)Nc1c(CC)n(nc1C(N)=O)C1CN(C)C1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C24H36N8O5S/c1-5-19-20(21(22(25)33)28-32(19)16-14-29(4)15-16)27-23(34)18-12-17(13-26-24(18)37-7-3)38(35,36)31-10-8-30(6-2)9-11-31/h12-13,16H,5-11,14-15H2,1-4H3,(H2,25,33)(H,27,34)
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n/an/a 8.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359783
PNG
(CHEMBL1928275)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c3CCCCn3nc2c(=O)[nH]1
Show InChI InChI=1S/C23H31N7O5S/c1-3-28-8-10-29(11-9-28)36(32,33)16-14-17(23(24-15-16)35-13-12-34-2)21-25-19-18-6-4-5-7-30(18)27-20(19)22(31)26-21/h14-15H,3-13H2,1-2H3,(H,25,26,31)
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n/an/a 8.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359781
PNG
(CHEMBL1928273)
Show SMILES CCOc1ncc(cc1-c1nc2c3CCCCn3nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C22H29N7O4S/c1-3-27-9-11-28(12-10-27)34(31,32)15-13-16(22(23-14-15)33-4-2)20-24-18-17-7-5-6-8-29(17)26-19(18)21(30)25-20/h13-14H,3-12H2,1-2H3,(H,24,25,30)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50359775
PNG
(CHEMBL1928267)
Show SMILES CCOc1ncc(cc1C(=O)Nc1c(CC)n(nc1C(N)=O)C1CNC1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H34N8O5S/c1-4-18-19(20(21(24)32)28-31(18)15-12-25-13-15)27-22(33)17-11-16(14-26-23(17)36-6-3)37(34,35)30-9-7-29(5-2)8-10-30/h11,14-15,25H,4-10,12-13H2,1-3H3,(H2,24,32)(H,27,33)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method


Bioorg Med Chem 20: 498-509 (2011)


Article DOI: 10.1016/j.bmc.2011.10.022
BindingDB Entry DOI: 10.7270/Q2M9094T
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50069792
PNG
((2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-N-[(...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)C=O |r|
Show InChI InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Université Rennes 1

Curated by ChEMBL


Assay Description
Inhibitory concentration against Calpain I activity


J Med Chem 48: 330-4 (2005)


Article DOI: 10.1021/jm049455f
BindingDB Entry DOI: 10.7270/Q2H994PD
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM50396422
PNG
(CHEMBL2170403)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6](-[#8])-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-1-[#6]-[#6]-[#7]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C44H62N12O8/c45-40(61)35(23-30-11-4-1-5-12-30)53-41(62)34(17-10-18-49-44(46)47)52-42(63)36(24-31-13-6-2-7-14-31)50-39(60)28-56(26-33(58)29-57)54-43(64)37(25-32-15-8-3-9-16-32)51-38(59)27-55-21-19-48-20-22-55/h1-9,11-16,33-37,48,57-58H,10,17-29H2,(H2,45,61)(H,50,60)(H,51,59)(H,52,63)(H,53,62)(H,54,64)(H4,46,47,49)/t33?,34-,35-,36-,37-/m0/s1
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n/an/a 1.99E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]26RFa from human GPR103 expressed in HEK293 cells incubated for 1 h by gamma counter based method


J Med Chem 55: 7516-24 (2012)


Article DOI: 10.1021/jm300507d
BindingDB Entry DOI: 10.7270/Q2K35VSG
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM50396420
PNG
(CHEMBL2170390)
Show SMILES [#7]-[#6]-[#6](=O)-[#7]-[#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/C40H54N12O8/c41-22-33(54)52-46-23-34(55)47-30(20-26-13-6-2-7-14-26)37(58)51-32(24-53)39(60)50-31(21-27-15-8-3-9-16-27)38(59)48-28(17-10-18-45-40(43)44)36(57)49-29(35(42)56)19-25-11-4-1-5-12-25/h1-9,11-16,28-32,46,53H,10,17-24,41H2,(H2,42,56)(H,47,55)(H,48,59)(H,49,57)(H,50,60)(H,51,58)(H,52,54)(H4,43,44,45)/t28-,29-,30-,31-,32-/m0/s1
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n/an/a 2.99E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]26RFa from human GPR103 expressed in HEK293 cells incubated for 1 h by gamma counter based method


J Med Chem 55: 7516-24 (2012)


Article DOI: 10.1021/jm300507d
BindingDB Entry DOI: 10.7270/Q2K35VSG
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM50347830
PNG
(CHEMBL1802425)
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@@H](-[#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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n/an/a 8.73E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [125I]26RFa from human GPR103 expressed in HEK293 cells incubated for 1 h by gamma counter based method


J Med Chem 55: 7516-24 (2012)


Article DOI: 10.1021/jm300507d
BindingDB Entry DOI: 10.7270/Q2K35VSG
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM50396417
PNG
(CHEMBL2170395)
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]-[#7](-[#6]-[#6](-[#7])=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C40H54N12O8/c41-21-34(55)46-22-35(56)47-30(19-26-11-4-1-5-12-26)36(57)50-32(25-53)38(59)49-31(20-27-13-6-2-7-14-27)37(58)48-29(17-10-18-45-40(43)44)39(60)51-52(24-33(42)54)23-28-15-8-3-9-16-28/h1-9,11-16,29-32,53H,10,17-25,41H2,(H2,42,54)(H,46,55)(H,47,56)(H,48,58)(H,49,59)(H,50,57)(H,51,60)(H4,43,44,45)/t29-,30-,31-,32-/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 expressed in CHO cells co-expressing Galpha16 assessed as inhibition of human 26RFa-induced increase in intracell...


J Med Chem 55: 7516-24 (2012)


Article DOI: 10.1021/jm300507d
BindingDB Entry DOI: 10.7270/Q2K35VSG
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM50396418
PNG
(CHEMBL2170394)
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]-[#7](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C40H54N12O8/c41-22-33(54)46-23-34(55)48-30(20-27-13-6-2-7-14-27)37(58)50-32(25-53)38(59)49-31(21-28-15-8-3-9-16-28)39(60)51-52(18-10-17-45-40(43)44)24-35(56)47-29(36(42)57)19-26-11-4-1-5-12-26/h1-9,11-16,29-32,53H,10,17-25,41H2,(H2,42,57)(H,46,54)(H,47,56)(H,48,55)(H,49,59)(H,50,58)(H,51,60)(H4,43,44,45)/t29-,30-,31-,32-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 expressed in CHO cells co-expressing Galpha16 assessed as inhibition of human 26RFa-induced increase in intracell...


J Med Chem 55: 7516-24 (2012)


Article DOI: 10.1021/jm300507d
BindingDB Entry DOI: 10.7270/Q2K35VSG
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM50396416
PNG
(CHEMBL2170398)
Show SMILES [#6]-[#6]-[#6]-[#7](-[#6]-[#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)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7] |r|
Show InChI InChI=1S/C42H58N12O7/c1-2-21-54(53-41(61)34(24-30-17-10-5-11-18-30)49-36(56)26-48-35(55)25-43)27-37(57)50-33(23-29-15-8-4-9-16-29)40(60)51-31(19-12-20-47-42(45)46)39(59)52-32(38(44)58)22-28-13-6-3-7-14-28/h3-11,13-18,31-34H,2,12,19-27,43H2,1H3,(H2,44,58)(H,48,55)(H,49,56)(H,50,57)(H,51,60)(H,52,59)(H,53,61)(H4,45,46,47)/t31-,32-,33-,34-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 expressed in CHO cells co-expressing Galpha16 assessed as inhibition of human 26RFa-induced increase in intracell...


J Med Chem 55: 7516-24 (2012)


Article DOI: 10.1021/jm300507d
BindingDB Entry DOI: 10.7270/Q2K35VSG
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM50396419
PNG
(CHEMBL2170393)
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]-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C40H54N12O8/c41-21-33(54)46-22-34(55)48-31(20-27-13-6-2-7-14-27)38(59)50-32(25-53)39(60)51-52(23-28-15-8-3-9-16-28)24-35(56)47-29(17-10-18-45-40(43)44)37(58)49-30(36(42)57)19-26-11-4-1-5-12-26/h1-9,11-16,29-32,53H,10,17-25,41H2,(H2,42,57)(H,46,54)(H,47,56)(H,48,55)(H,49,58)(H,50,59)(H,51,60)(H4,43,44,45)/t29-,30-,31-,32-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 expressed in CHO cells co-expressing Galpha16 assessed as inhibition of human 26RFa-induced increase in intracell...


J Med Chem 55: 7516-24 (2012)


Article DOI: 10.1021/jm300507d
BindingDB Entry DOI: 10.7270/Q2K35VSG
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50159158
PNG
(CHEMBL433563 | Peptidyl boronic acid derivative)
Show SMILES CC(C)CN(CC(=O)N(CC(C)C)NC(=O)OCc1ccccc1)N=Cc1ccccc1B(O)O |w:25.26|
Show InChI InChI=1S/C25H35BN4O5/c1-19(2)15-29(27-14-22-12-8-9-13-23(22)26(33)34)17-24(31)30(16-20(3)4)28-25(32)35-18-21-10-6-5-7-11-21/h5-14,19-20,33-34H,15-18H2,1-4H3,(H,28,32)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Université Rennes 1

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


J Med Chem 48: 330-4 (2005)


Article DOI: 10.1021/jm049455f
BindingDB Entry DOI: 10.7270/Q2H994PD
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50159149
PNG
(CHEMBL179042 | Peptidyl boronic acid derivative)
Show SMILES CC(C)CN(NC(=O)OCc1ccccc1)C(=O)CN(Cc1ccccc1)N=Cc1cccc(c1)B(O)O |w:28.30|
Show InChI InChI=1S/C28H33BN4O5/c1-22(2)18-33(31-28(35)38-21-24-12-7-4-8-13-24)27(34)20-32(19-23-10-5-3-6-11-23)30-17-25-14-9-15-26(16-25)29(36)37/h3-17,22,36-37H,18-21H2,1-2H3,(H,31,35)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Université Rennes 1

Curated by ChEMBL


Assay Description
Inhibitory concentration against Calpain I activity


J Med Chem 48: 330-4 (2005)


Article DOI: 10.1021/jm049455f
BindingDB Entry DOI: 10.7270/Q2H994PD
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50159158
PNG
(CHEMBL433563 | Peptidyl boronic acid derivative)
Show SMILES CC(C)CN(CC(=O)N(CC(C)C)NC(=O)OCc1ccccc1)N=Cc1ccccc1B(O)O |w:25.26|
Show InChI InChI=1S/C25H35BN4O5/c1-19(2)15-29(27-14-22-12-8-9-13-23(22)26(33)34)17-24(31)30(16-20(3)4)28-25(32)35-18-21-10-6-5-7-11-21/h5-14,19-20,33-34H,15-18H2,1-4H3,(H,28,32)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Université Rennes 1

Curated by ChEMBL


Assay Description
Inhibitory concentration against Calpain I activity


J Med Chem 48: 330-4 (2005)


Article DOI: 10.1021/jm049455f
BindingDB Entry DOI: 10.7270/Q2H994PD
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50159149
PNG
(CHEMBL179042 | Peptidyl boronic acid derivative)
Show SMILES CC(C)CN(NC(=O)OCc1ccccc1)C(=O)CN(Cc1ccccc1)N=Cc1cccc(c1)B(O)O |w:28.30|
Show InChI InChI=1S/C28H33BN4O5/c1-22(2)18-33(31-28(35)38-21-24-12-7-4-8-13-24)27(34)20-32(19-23-10-5-3-6-11-23)30-17-25-14-9-15-26(16-25)29(36)37/h3-17,22,36-37H,18-21H2,1-2H3,(H,31,35)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Université Rennes 1

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


J Med Chem 48: 330-4 (2005)


Article DOI: 10.1021/jm049455f
BindingDB Entry DOI: 10.7270/Q2H994PD
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM50396426
PNG
(CHEMBL2170399)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#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)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7] |r|
Show InChI InChI=1S/C43H60N12O7/c1-2-3-22-55(54-42(62)35(25-31-18-11-6-12-19-31)50-37(57)27-49-36(56)26-44)28-38(58)51-34(24-30-16-9-5-10-17-30)41(61)52-32(20-13-21-48-43(46)47)40(60)53-33(39(45)59)23-29-14-7-4-8-15-29/h4-12,14-19,32-35H,2-3,13,20-28,44H2,1H3,(H2,45,59)(H,49,56)(H,50,57)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H4,46,47,48)/t32-,33-,34-,35-/m0/s1
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n/an/an/an/a 2.98E+4n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Agonist activity at human GPR103 expressed in CHO cells co-expressing Galpha16 assessed as increase in intracellular calcium level measured for 2 min...


J Med Chem 55: 7516-24 (2012)


Article DOI: 10.1021/jm300507d
BindingDB Entry DOI: 10.7270/Q2K35VSG
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM50396425
PNG
(CHEMBL2170400)
Show SMILES [#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#7](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6]-[#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/C46H64N12O7/c47-27-39(59)52-28-40(60)53-38(26-33-18-9-3-10-19-33)45(65)57-58(29-34-20-11-4-12-21-34)30-41(61)54-37(25-32-16-7-2-8-17-32)44(64)55-35(22-13-23-51-46(49)50)43(63)56-36(42(48)62)24-31-14-5-1-6-15-31/h1-3,5-10,14-19,34-38H,4,11-13,20-30,47H2,(H2,48,62)(H,52,59)(H,53,60)(H,54,61)(H,55,64)(H,56,63)(H,57,65)(H4,49,50,51)/t35-,36-,37-,38-/m0/s1
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n/an/an/an/a 1.37E+3n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Agonist activity at human GPR103 expressed in CHO cells co-expressing Galpha16 assessed as increase in intracellular calcium level measured for 2 min...


J Med Chem 55: 7516-24 (2012)


Article DOI: 10.1021/jm300507d
BindingDB Entry DOI: 10.7270/Q2K35VSG
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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n/an/an/an/a 10n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Agonist activity at human GPR103 expressed in CHO cells co-expressing Galpha16 assessed as increase in intracellular calcium level measured for 2 min...


J Med Chem 55: 7516-24 (2012)


Article DOI: 10.1021/jm300507d
BindingDB Entry DOI: 10.7270/Q2K35VSG
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM50347830
PNG
(CHEMBL1802425)
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@@H](-[#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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n/an/an/an/a 739n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Agonist activity at human GPR103 expressed in CHO cells co-expressing Galpha16 assessed as increase in intracellular calcium level measured for 2 min...


J Med Chem 55: 7516-24 (2012)


Article DOI: 10.1021/jm300507d
BindingDB Entry DOI: 10.7270/Q2K35VSG
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM50396431
PNG
(CHEMBL2170389)
Show SMILES [#7]-[#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/C40H54N12O8/c41-35(56)29(19-25-11-4-1-5-12-25)50-36(57)28(17-10-18-45-40(42)43)49-38(59)31(21-27-15-8-3-9-16-27)51-39(60)32(24-53)52-37(58)30(20-26-13-6-2-7-14-26)48-34(55)22-46-33(54)23-47-44/h1-9,11-16,28-32,47,53H,10,17-24,44H2,(H2,41,56)(H,46,54)(H,48,55)(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H4,42,43,45)/t28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a 429n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Agonist activity at human GPR103 expressed in CHO cells co-expressing Galpha16 assessed as increase in intracellular calcium level measured for 2 min...


J Med Chem 55: 7516-24 (2012)


Article DOI: 10.1021/jm300507d
BindingDB Entry DOI: 10.7270/Q2K35VSG
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM50396430
PNG
(CHEMBL2170391)
Show SMILES [#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#7](-[#6]-[#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)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C40H54N12O8/c41-21-33(54)46-22-34(55)51-52(23-28-15-8-3-9-16-28)24-35(56)47-32(25-53)39(60)50-31(20-27-13-6-2-7-14-27)38(59)48-29(17-10-18-45-40(43)44)37(58)49-30(36(42)57)19-26-11-4-1-5-12-26/h1-9,11-16,29-32,53H,10,17-25,41H2,(H2,42,57)(H,46,54)(H,47,56)(H,48,59)(H,49,58)(H,50,60)(H,51,55)(H4,43,44,45)/t29-,30-,31-,32-/m0/s1
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n/an/an/an/a 2.34E+3n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Agonist activity at human GPR103 expressed in CHO cells co-expressing Galpha16 assessed as increase in intracellular calcium level measured for 2 min...


J Med Chem 55: 7516-24 (2012)


Article DOI: 10.1021/jm300507d
BindingDB Entry DOI: 10.7270/Q2K35VSG
More data for this
Ligand-Target Pair
Pyroglutamylated RF-amide peptide receptor


(Homo sapiens (Human))
BDBM50396429
PNG
(CHEMBL2170392)
Show SMILES [#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#7](-[#6]-[#6]-[#8])-[#6]-[#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/C41H56N12O8/c42-24-34(55)47-25-35(56)48-33(23-29-15-8-3-9-16-29)40(61)52-53(19-20-54)26-36(57)49-32(22-28-13-6-2-7-14-28)39(60)50-30(17-10-18-46-41(44)45)38(59)51-31(37(43)58)21-27-11-4-1-5-12-27/h1-9,11-16,30-33,54H,10,17-26,42H2,(H2,43,58)(H,47,55)(H,48,56)(H,49,57)(H,50,60)(H,51,59)(H,52,61)(H4,44,45,46)/t30-,31-,32-,33-/m0/s1
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n/an/an/an/a 1.09E+3n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Agonist activity at human GPR103 expressed in CHO cells co-expressing Galpha16 assessed as increase in intracellular calcium level measured for 2 min...


J Med Chem 55: 7516-24 (2012)


Article DOI: 10.1021/jm300507d
BindingDB Entry DOI: 10.7270/Q2K35VSG
More data for this
Ligand-Target Pair
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