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Compile Data Set for Download or QSAR

Found 146 hits Enz. Inhib. hit(s) with Target = 'GPR103'   
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
GPR103


(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
GPR103


(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
GPR103


(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
GPR103


(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
GPR103


(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
UniProtKB/SwissProt

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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
GPR103


(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
GPR103


(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
GPR103


(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
GPR103


(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
GPR103


(Homo sapiens (Human))
BDBM50020015
PNG
(CHEMBL3287814)
Show SMILES COc1ccc(NC(=N)c2ccc(Cl)cc2)cc1CSC1CCCC1
Show InChI InChI=1S/C20H23ClN2OS/c1-24-19-11-10-17(12-15(19)13-25-18-4-2-3-5-18)23-20(22)14-6-8-16(21)9-7-14/h6-12,18H,2-5,13H2,1H3,(H2,22,23)
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020014
PNG
(CHEMBL3287813)
Show SMILES COc1ccc(NC(=N)c2ccc(Br)s2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H21BrN2OS2/c1-22-15-7-6-13(21-18(20)16-8-9-17(19)24-16)10-12(15)11-23-14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3,(H2,20,21)
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020011
PNG
(CHEMBL3287810)
Show SMILES COc1ccc(NC(=N)c2ccccc2)cc1CSC1CCCC1
Show InChI InChI=1S/C20H24N2OS/c1-23-19-12-11-17(22-20(21)15-7-3-2-4-8-15)13-16(19)14-24-18-9-5-6-10-18/h2-4,7-8,11-13,18H,5-6,9-10,14H2,1H3,(H2,21,22)
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020011
PNG
(CHEMBL3287810)
Show SMILES COc1ccc(NC(=N)c2ccccc2)cc1CSC1CCCC1
Show InChI InChI=1S/C20H24N2OS/c1-23-19-12-11-17(22-20(21)15-7-3-2-4-8-15)13-16(19)14-24-18-9-5-6-10-18/h2-4,7-8,11-13,18H,5-6,9-10,14H2,1H3,(H2,21,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50045830
PNG
(CHEMBL3314362)
Show SMILES CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]QRFP43 from human GPR103 receptor expressed in HEK cells after 90 mins incubation by scintillation counting


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020015
PNG
(CHEMBL3287814)
Show SMILES COc1ccc(NC(=N)c2ccc(Cl)cc2)cc1CSC1CCCC1
Show InChI InChI=1S/C20H23ClN2OS/c1-24-19-11-10-17(12-15(19)13-25-18-4-2-3-5-18)23-20(22)14-6-8-16(21)9-7-14/h6-12,18H,2-5,13H2,1H3,(H2,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50045830
PNG
(CHEMBL3314362)
Show SMILES CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019982
PNG
(CHEMBL3287584)
Show SMILES COc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H22N2OS2/c1-21-16-9-8-14(20-18(19)17-7-4-10-22-17)11-13(16)12-23-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6,12H2,1H3,(H2,19,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020012
PNG
(CHEMBL3287811)
Show SMILES COc1ccc(NC(=N)c2cc(C)cs2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H24N2OS2/c1-13-9-18(24-11-13)19(20)21-15-7-8-17(22-2)14(10-15)12-23-16-5-3-4-6-16/h7-11,16H,3-6,12H2,1-2H3,(H2,20,21)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50045833
PNG
(CHEMBL3314349)
Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C22H24ClN3O/c1-24(2)13-15-4-5-17-14-26(9-8-16(17)10-15)22(27)21-12-18-11-19(23)6-7-20(18)25(21)3/h4-7,10-12H,8-9,13-14H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]QRFP43 from human GPR103 receptor expressed in HEK cells after 90 mins incubation by scintillation counting


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50045833
PNG
(CHEMBL3314349)
Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C22H24ClN3O/c1-24(2)13-15-4-5-17-14-26(9-8-16(17)10-15)22(27)21-12-18-11-19(23)6-7-20(18)25(21)3/h4-7,10-12H,8-9,13-14H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019983
PNG
(CHEMBL3287585)
Show SMILES COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c2C[C@@H](CCc12)N(C)C |r|
Show InChI InChI=1S/C20H25ClN2O4S/c1-23(2)14-6-7-15-16(12-14)18(26-3)9-10-20(15)28(24,25)22-17-11-13(21)5-8-19(17)27-4/h5,8-11,14,22H,6-7,12H2,1-4H3/t14-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019983
PNG
(CHEMBL3287585)
Show SMILES COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c2C[C@@H](CCc12)N(C)C |r|
Show InChI InChI=1S/C20H25ClN2O4S/c1-23(2)14-6-7-15-16(12-14)18(26-3)9-10-20(15)28(24,25)22-17-11-13(21)5-8-19(17)27-4/h5,8-11,14,22H,6-7,12H2,1-4H3/t14-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020012
PNG
(CHEMBL3287811)
Show SMILES COc1ccc(NC(=N)c2cc(C)cs2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H24N2OS2/c1-13-9-18(24-11-13)19(20)21-15-7-8-17(22-2)14(10-15)12-23-16-5-3-4-6-16/h7-11,16H,3-6,12H2,1-2H3,(H2,20,21)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020010
PNG
(CHEMBL3287586)
Show SMILES COc1ccc(NC(=N)c2ccsc2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H22N2OS2/c1-21-17-7-6-15(20-18(19)13-8-9-22-11-13)10-14(17)12-23-16-4-2-3-5-16/h6-11,16H,2-5,12H2,1H3,(H2,19,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50045838
PNG
(CHEMBL3314358)
Show SMILES CC1CN(Cc2ccc(CN(C)C)cc12)C(=O)c1cc2cc(Br)ncc2n1C
Show InChI InChI=1/C22H25BrN4O/c1-14-11-27(13-16-6-5-15(7-18(14)16)12-25(2)3)22(28)19-8-17-9-21(23)24-10-20(17)26(19)4/h5-10,14H,11-13H2,1-4H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020010
PNG
(CHEMBL3287586)
Show SMILES COc1ccc(NC(=N)c2ccsc2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H22N2OS2/c1-21-17-7-6-15(20-18(19)13-8-9-22-11-13)10-14(17)12-23-16-4-2-3-5-16/h6-11,16H,2-5,12H2,1H3,(H2,19,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020014
PNG
(CHEMBL3287813)
Show SMILES COc1ccc(NC(=N)c2ccc(Br)s2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H21BrN2OS2/c1-22-15-7-6-13(21-18(20)16-8-9-17(19)24-16)10-12(15)11-23-14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3,(H2,20,21)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50045842
PNG
(CHEMBL3314354)
Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(I)ncc2n1C
Show InChI InChI=1S/C21H23IN4O/c1-24(2)12-14-4-5-16-13-26(7-6-15(16)8-14)21(27)18-9-17-10-20(22)23-11-19(17)25(18)3/h4-5,8-11H,6-7,12-13H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020013
PNG
(CHEMBL3287812)
Show SMILES COc1ccc(NC(=N)c2cc(Br)cs2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H21BrN2OS2/c1-22-16-7-6-14(21-18(20)17-9-13(19)11-24-17)8-12(16)10-23-15-4-2-3-5-15/h6-9,11,15H,2-5,10H2,1H3,(H2,20,21)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019982
PNG
(CHEMBL3287584)
Show SMILES COc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H22N2OS2/c1-21-16-9-8-14(20-18(19)17-7-4-10-22-17)11-13(16)12-23-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6,12H2,1H3,(H2,19,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019979
PNG
(CHEMBL3287833)
Show SMILES COc1ccc(NC(=N)c2ccccc2)cc1CCC1CCCC1
Show InChI InChI=1S/C21H26N2O/c1-24-20-14-13-19(23-21(22)17-9-3-2-4-10-17)15-18(20)12-11-16-7-5-6-8-16/h2-4,9-10,13-16H,5-8,11-12H2,1H3,(H2,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50045831
PNG
(CHEMBL3314352)
Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Br)ncc2n1C
Show InChI InChI=1S/C21H23BrN4O/c1-24(2)12-14-4-5-16-13-26(7-6-15(16)8-14)21(27)18-9-17-10-20(22)23-11-19(17)25(18)3/h4-5,8-11H,6-7,12-13H2,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020020
PNG
(CHEMBL3287819)
Show SMILES COc1ccc(NC(=N)c2cccnc2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H23N3OS/c1-23-18-9-8-16(22-19(20)14-5-4-10-21-12-14)11-15(18)13-24-17-6-2-3-7-17/h4-5,8-12,17H,2-3,6-7,13H2,1H3,(H2,20,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020022
PNG
(CHEMBL3287821)
Show SMILES COc1ccc(N\C(=N\C)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H24N2OS2/c1-20-19(18-8-5-11-23-18)21-15-9-10-17(22-2)14(12-15)13-24-16-6-3-4-7-16/h5,8-12,16H,3-4,6-7,13H2,1-2H3,(H,20,21)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50045831
PNG
(CHEMBL3314352)
Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Br)ncc2n1C
Show InChI InChI=1S/C21H23BrN4O/c1-24(2)12-14-4-5-16-13-26(7-6-15(16)8-14)21(27)18-9-17-10-20(22)23-11-19(17)25(18)3/h4-5,8-11H,6-7,12-13H2,1-3H3
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n/an/a 280n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]QRFP43 from human GPR103 receptor expressed in HEK cells after 90 mins incubation by scintillation counting


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019979
PNG
(CHEMBL3287833)
Show SMILES COc1ccc(NC(=N)c2ccccc2)cc1CCC1CCCC1
Show InChI InChI=1S/C21H26N2O/c1-24-20-14-13-19(23-21(22)17-9-3-2-4-10-17)15-18(20)12-11-16-7-5-6-8-16/h2-4,9-10,13-16H,5-8,11-12H2,1H3,(H2,22,23)
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n/an/a 316n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50045834
PNG
(CHEMBL3314361)
Show SMILES CC(N(C)C)c1ccc2CN(CCc2c1)C(=O)c1cc2cc(Cl)ncc2n1C
Show InChI InChI=1/C22H25ClN4O/c1-14(25(2)3)15-5-6-17-13-27(8-7-16(17)9-15)22(28)19-10-18-11-21(23)24-12-20(18)26(19)4/h5-6,9-12,14H,7-8,13H2,1-4H3
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n/an/a 460n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50045837
PNG
(CHEMBL3314359)
Show SMILES CC1N(CCc2cc(CN(C)C)ccc12)C(=O)c1cc2cc(Cl)ncc2n1C
Show InChI InChI=1/C22H25ClN4O/c1-14-18-6-5-15(13-25(2)3)9-16(18)7-8-27(14)22(28)19-10-17-11-21(23)24-12-20(17)26(19)4/h5-6,9-12,14H,7-8,13H2,1-4H3
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n/an/a 500n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019976
PNG
(CHEMBL3287827)
Show SMILES Fc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C17H19FN2S2/c18-15-8-7-13(20-17(19)16-6-3-9-21-16)10-12(15)11-22-14-4-1-2-5-14/h3,6-10,14H,1-2,4-5,11H2,(H2,19,20)
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n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020020
PNG
(CHEMBL3287819)
Show SMILES COc1ccc(NC(=N)c2cccnc2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H23N3OS/c1-23-18-9-8-16(22-19(20)14-5-4-10-21-12-14)11-15(18)13-24-17-6-2-3-7-17/h4-5,8-12,17H,2-3,6-7,13H2,1H3,(H2,20,22)
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n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50045846
PNG
(CHEMBL3314350)
Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Cl)ncc2n1C
Show InChI InChI=1S/C21H23ClN4O/c1-24(2)12-14-4-5-16-13-26(7-6-15(16)8-14)21(27)18-9-17-10-20(22)23-11-19(17)25(18)3/h4-5,8-11H,6-7,12-13H2,1-3H3
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n/an/a 570n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50020022
PNG
(CHEMBL3287821)
Show SMILES COc1ccc(N\C(=N\C)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C19H24N2OS2/c1-20-19(18-8-5-11-23-18)21-15-9-10-17(22-2)14(12-15)13-24-16-6-3-4-7-16/h5,8-12,16H,3-4,6-7,13H2,1-2H3,(H,20,21)
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n/an/a 631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50045836
PNG
(CHEMBL3314360)
Show SMILES CC1Cc2cc(CN(C)C)ccc2CN1C(=O)c1cc2cc(Cl)ncc2n1C
Show InChI InChI=1/C22H25ClN4O/c1-14-7-17-8-15(12-25(2)3)5-6-16(17)13-27(14)22(28)19-9-18-10-21(23)24-11-20(18)26(19)4/h5-6,8-11,14H,7,12-13H2,1-4H3
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n/an/a 710n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019974
PNG
(CHEMBL3287825)
Show SMILES N=C(Nc1cccc(CSC2CCCC2)c1)c1cccs1
Show InChI InChI=1S/C17H20N2S2/c18-17(16-9-4-10-20-16)19-14-6-3-5-13(11-14)12-21-15-7-1-2-8-15/h3-6,9-11,15H,1-2,7-8,12H2,(H2,18,19)
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n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50045830
PNG
(CHEMBL3314362)
Show SMILES CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3
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n/an/a 880n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019977
PNG
(CHEMBL3287828)
Show SMILES Clc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C17H19ClN2S2/c18-15-8-7-13(20-17(19)16-6-3-9-21-16)10-12(15)11-22-14-4-1-2-5-14/h3,6-10,14H,1-2,4-5,11H2,(H2,19,20)
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019973
PNG
(CHEMBL3287824)
Show SMILES COc1ccc(cc1CSC1CCCC1)C(=N)Nc1ccccc1
Show InChI InChI=1S/C20H24N2OS/c1-23-19-12-11-15(20(21)22-17-7-3-2-4-8-17)13-16(19)14-24-18-9-5-6-10-18/h2-4,7-8,11-13,18H,5-6,9-10,14H2,1H3,(H2,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019976
PNG
(CHEMBL3287827)
Show SMILES Fc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C17H19FN2S2/c18-15-8-7-13(20-17(19)16-6-3-9-21-16)10-12(15)11-22-14-4-1-2-5-14/h3,6-10,14H,1-2,4-5,11H2,(H2,19,20)
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n/an/a 1.26E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-QRFP43 from human GPR103 receptor overexpressed in HEK membranes after 90 mins by liquid scintillation counting


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019980
PNG
(CHEMBL3287834)
Show SMILES COc1ccc(NC(=N)c2ccccc2)cc1CSc1ccccc1
Show InChI InChI=1S/C21H20N2OS/c1-24-20-13-12-18(23-21(22)16-8-4-2-5-9-16)14-17(20)15-25-19-10-6-3-7-11-19/h2-14H,15H2,1H3,(H2,22,23)
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n/an/a 1.59E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50019975
PNG
(CHEMBL3287826)
Show SMILES Cc1ccc(NC(=N)c2cccs2)cc1CSC1CCCC1
Show InChI InChI=1S/C18H22N2S2/c1-13-8-9-15(20-18(19)17-7-4-10-21-17)11-14(13)12-22-16-5-2-3-6-16/h4,7-11,16H,2-3,5-6,12H2,1H3,(H2,19,20)
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n/an/a 1.59E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR103 receptor assessed as inhibition of inositol-1-phosphate production by cell-based assay


ACS Med Chem Lett 5: 527-32 (2014)


Article DOI: 10.1021/ml400519h
BindingDB Entry DOI: 10.7270/Q2V989NR
More data for this
Ligand-Target Pair
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