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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with Target = 'GPR24' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
GPR24


(HUMAN)
BDBM85951
PNG
(hAc-MCH(6-16)-NH2)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)C(CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C58H97N21O13S3/c1-30(2)25-39-47(84)69-27-44(82)71-36(12-8-21-67-57(62)63)50(87)78-45(31(3)4)54(91)75-40(26-33-15-17-34(81)18-16-33)51(88)73-38(13-9-22-68-58(64)65)55(92)79-23-10-14-43(79)53(90)76-41(46(59)83)28-94-95-29-42(52(89)72-37(19-24-93-6)49(86)74-39)77-48(85)35(70-32(5)80)11-7-20-66-56(60)61/h15-18,30-31,35-43,45,81H,7-14,19-29H2,1-6H3,(H2,59,83)(H,69,84)(H,70,80)(H,71,82)(H,72,89)(H,73,88)(H,74,86)(H,75,91)(H,76,90)(H,77,85)(H,78,87)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)
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Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85788
PNG
(MCH | hMCH)
Show SMILES CSCCC(NC(=O)C(CC(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC1CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCSC)NC1=O)C(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(N)=O)C(=O)NC(C(C)C)C(O)=O
Show InChI InChI=1S/C105H160N30O26S4/c1-53(2)42-70-86(144)118-50-80(138)119-64(24-16-36-114-103(108)109)90(148)133-83(55(5)6)100(158)130-73(45-58-28-30-60(136)31-29-58)93(151)124-69(26-18-38-116-105(112)113)101(159)135-39-19-27-78(135)99(157)132-77(98(156)128-74(46-59-49-117-63-23-15-14-22-61(59)63)95(153)121-66(32-33-79(107)137)91(149)134-84(56(7)8)102(160)161)52-165-164-51-76(97(155)123-68(35-41-163-10)88(146)126-70)131-87(145)65(25-17-37-115-104(110)111)120-92(150)71(43-54(3)4)127-89(147)67(34-40-162-9)122-96(154)75(48-82(141)142)129-94(152)72(44-57-20-12-11-13-21-57)125-85(143)62(106)47-81(139)140/h11-15,20-23,28-31,49,53-56,62,64-78,83-84,117,136H,16-19,24-27,32-48,50-52,106H2,1-10H3,(H2,107,137)(H,118,144)(H,119,138)(H,120,150)(H,121,153)(H,122,154)(H,123,155)(H,124,151)(H,125,143)(H,126,146)(H,127,147)(H,128,156)(H,129,152)(H,130,158)(H,131,145)(H,132,157)(H,133,148)(H,134,149)(H,139,140)(H,141,142)(H,160,161)(H4,108,109,114)(H4,110,111,115)(H4,112,113,116)
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0.170n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85790
PNG
(Salmon MCH)
Show SMILES CSCCC(NC(=O)C(NC(=O)C(N)CC(O)=O)C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC1CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(NC(=O)C(CCSC)NC1=O)C(C)C)C(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(O)=O)C(=O)NC(C(C)C)C(O)=O
Show InChI InChI=1S/C89H139N27O24S4/c1-43(2)67-82(135)101-40-64(119)102-53(18-12-30-97-87(91)92)74(127)113-68(44(3)4)83(136)109-59(36-47-22-24-49(118)25-23-47)77(130)107-58(20-14-32-99-89(95)96)85(138)116-33-15-21-63(116)81(134)111-62(80(133)108-60(37-48-39-100-52-17-11-10-16-50(48)52)78(131)104-55(26-27-65(120)121)75(128)114-69(45(5)6)86(139)140)42-144-143-41-61(79(132)105-57(29-35-142-9)76(129)112-67)110-72(125)54(19-13-31-98-88(93)94)103-73(126)56(28-34-141-8)106-84(137)70(46(7)117)115-71(124)51(90)38-66(122)123/h10-11,16-17,22-25,39,43-46,51,53-63,67-70,100,117-118H,12-15,18-21,26-38,40-42,90H2,1-9H3,(H,101,135)(H,102,119)(H,103,126)(H,104,131)(H,105,132)(H,106,137)(H,107,130)(H,108,133)(H,109,136)(H,110,125)(H,111,134)(H,112,129)(H,113,127)(H,114,128)(H,115,124)(H,120,121)(H,122,123)(H,139,140)(H4,91,92,97)(H4,93,94,98)(H4,95,96,99)
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85789
PNG
([Phe13,Tyr19]MCH)
Show SMILES CSCCC(NC(=O)C(CC(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC1CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCSC)NC1=O)C(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C109H160N30O26S4/c1-57(2)45-74-90(148)122-54-85(142)123-68(27-17-39-118-107(112)113)95(153)138-88(59(5)6)104(162)134-77(48-61-23-13-10-14-24-61)97(155)128-73(29-19-41-120-109(116)117)105(163)139-42-20-30-83(139)103(161)137-82(102(160)132-78(50-63-53-121-67-26-16-15-25-65(63)67)99(157)125-70(35-36-84(111)141)92(150)135-80(106(164)165)49-62-31-33-64(140)34-32-62)56-169-168-55-81(101(159)127-72(38-44-167-8)93(151)130-74)136-91(149)69(28-18-40-119-108(114)115)124-96(154)75(46-58(3)4)131-94(152)71(37-43-166-7)126-100(158)79(52-87(145)146)133-98(156)76(47-60-21-11-9-12-22-60)129-89(147)66(110)51-86(143)144/h9-16,21-26,31-34,53,57-59,66,68-83,88,121,140H,17-20,27-30,35-52,54-56,110H2,1-8H3,(H2,111,141)(H,122,148)(H,123,142)(H,124,154)(H,125,157)(H,126,158)(H,127,159)(H,128,155)(H,129,147)(H,130,151)(H,131,152)(H,132,160)(H,133,156)(H,134,162)(H,135,150)(H,136,149)(H,137,161)(H,138,153)(H,143,144)(H,145,146)(H,164,165)(H4,112,113,118)(H4,114,115,119)(H4,116,117,120)
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0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85976
PNG
(N-Me-Nle8)
Show SMILES CCCCC1N(C)C(=O)C(CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)C(CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C60H101N21O13S2/c1-8-9-17-44-53(90)75-40(27-32(2)3)49(86)71-29-46(84)73-38(15-11-24-69-59(64)65)51(88)79-47(33(4)5)55(92)76-41(28-35-19-21-36(83)22-20-35)52(89)74-39(16-12-25-70-60(66)67)57(94)81-26-13-18-45(81)54(91)77-42(48(61)85)30-95-96-31-43(56(93)80(44)7)78-50(87)37(72-34(6)82)14-10-23-68-58(62)63/h19-22,32-33,37-45,47,83H,8-18,23-31H2,1-7H3,(H2,61,85)(H,71,86)(H,72,82)(H,73,84)(H,74,89)(H,75,90)(H,76,92)(H,77,91)(H,78,87)(H,79,88)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)
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0.340n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85956
PNG
(N-Me-Arg11)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)N(C)C(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)C(CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C59H99N21O13S3/c1-31(2)26-39-48(85)70-28-45(83)79(6)43(14-10-23-69-59(65)66)53(90)78-46(32(3)4)55(92)75-40(27-34-16-18-35(82)19-17-34)51(88)73-38(13-9-22-68-58(63)64)56(93)80-24-11-15-44(80)54(91)76-41(47(60)84)29-95-96-30-42(52(89)72-37(20-25-94-7)50(87)74-39)77-49(86)36(71-33(5)81)12-8-21-67-57(61)62/h16-19,31-32,36-44,46,82H,8-15,20-30H2,1-7H3,(H2,60,84)(H,70,85)(H,71,81)(H,72,89)(H,73,88)(H,74,87)(H,75,92)(H,76,91)(H,77,86)(H,78,90)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)
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0.550n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85954
PNG
(Ava14,15)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)C(CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C52H87N17O12S3/c1-28(2)23-36-45(76)61-25-41(73)63-34(12-10-21-60-52(56)57)48(79)69-42(29(3)4)50(81)67-37(24-31-14-16-32(71)17-15-31)44(75)58-19-8-7-13-40(72)64-38(43(53)74)26-83-84-27-39(49(80)65-35(18-22-82-6)47(78)66-36)68-46(77)33(62-30(5)70)11-9-20-59-51(54)55/h14-17,28-29,33-39,42,71H,7-13,18-27H2,1-6H3,(H2,53,74)(H,58,75)(H,61,76)(H,62,70)(H,63,73)(H,64,72)(H,65,80)(H,66,78)(H,67,81)(H,68,77)(H,69,79)(H4,54,55,59)(H4,56,57,60)
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PubMed
1.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85961
PNG
(N-Me-Gly10)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CN(C)C(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)C(CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C59H99N21O13S3/c1-31(2)26-41-55(92)79(6)28-45(83)71-37(13-9-22-68-58(63)64)50(87)78-46(32(3)4)54(91)74-40(27-34-16-18-35(82)19-17-34)51(88)73-39(14-10-23-69-59(65)66)56(93)80-24-11-15-44(80)53(90)76-42(47(60)84)29-95-96-30-43(52(89)72-38(20-25-94-7)49(86)75-41)77-48(85)36(70-33(5)81)12-8-21-67-57(61)62/h16-19,31-32,36-44,46,82H,8-15,20-30H2,1-7H3,(H2,60,84)(H,70,81)(H,71,83)(H,72,89)(H,73,88)(H,74,91)(H,75,86)(H,76,90)(H,77,85)(H,78,87)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)
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3.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85965
PNG
(Ava9,10)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CCCCNC1=O)C(C)C)C(N)=O)NC(=O)C(CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C55H92N20O12S3/c1-30(2)43-51(86)71-38(27-32-16-18-33(77)19-17-32)48(83)70-37(13-9-24-66-55(61)62)52(87)75-25-10-14-41(75)50(85)72-39(44(56)79)28-89-90-29-40(73-46(81)34(67-31(3)76)11-7-22-64-53(57)58)49(84)69-36(20-26-88-4)45(80)63-21-6-5-15-42(78)68-35(47(82)74-43)12-8-23-65-54(59)60/h16-19,30,34-41,43,77H,5-15,20-29H2,1-4H3,(H2,56,79)(H,63,80)(H,67,76)(H,68,78)(H,69,84)(H,70,83)(H,71,86)(H,72,85)(H,73,81)(H,74,82)(H4,57,58,64)(H4,59,60,65)(H4,61,62,66)
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4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85962
PNG
(Gva6,Nle8,Ava14,15)
Show SMILES CCCCC1NC(=O)C(CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)CCCCN=C(N)N
Show InChI InChI=1S/C51H86N16O11S2/c1-6-7-13-34-46(75)65-35(24-29(2)3)45(74)60-26-41(71)61-33(14-12-23-59-51(55)56)47(76)67-42(30(4)5)49(78)66-36(25-31-17-19-32(68)20-18-31)44(73)57-21-10-8-15-39(69)62-37(43(52)72)27-79-80-28-38(48(77)64-34)63-40(70)16-9-11-22-58-50(53)54/h17-20,29-30,33-38,42,68H,6-16,21-28H2,1-5H3,(H2,52,72)(H,57,73)(H,60,74)(H,61,71)(H,62,69)(H,63,70)(H,64,77)(H,65,75)(H,66,78)(H,67,76)(H4,53,54,58)(H4,55,56,59)
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4.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85948
PNG
(Gva6,Ava9,10)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CCCCNC1=O)C(C)C)C(N)=O)NC(=O)CCCCN=C(N)N
Show InChI InChI=1S/C53H89N19O11S3/c1-30(2)42-49(82)69-36(27-31-16-18-32(73)19-17-31)46(79)68-35(12-9-24-64-53(59)60)50(83)72-25-10-13-39(72)48(81)70-37(43(54)76)28-85-86-29-38(66-41(75)15-5-7-22-62-51(55)56)47(80)67-34(20-26-84-3)44(77)61-21-6-4-14-40(74)65-33(45(78)71-42)11-8-23-63-52(57)58/h16-19,30,33-39,42,73H,4-15,20-29H2,1-3H3,(H2,54,76)(H,61,77)(H,65,74)(H,66,75)(H,67,80)(H,68,79)(H,69,82)(H,70,81)(H,71,78)(H4,55,56,62)(H4,57,58,63)(H4,59,60,64)
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5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85953
PNG
(D-Arg6,Ava9,10)
Show SMILES CSCCC1NC(=O)[C@@H](CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CCCCNC1=O)C(C)C)C(N)=O)NC(=O)C(CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C55H92N20O12S3/c1-30(2)43-51(86)71-38(27-32-16-18-33(77)19-17-32)48(83)70-37(13-9-24-66-55(61)62)52(87)75-25-10-14-41(75)50(85)72-39(44(56)79)28-89-90-29-40(73-46(81)34(67-31(3)76)11-7-22-64-53(57)58)49(84)69-36(20-26-88-4)45(80)63-21-6-5-15-42(78)68-35(47(82)74-43)12-8-23-65-54(59)60/h16-19,30,34-41,43,77H,5-15,20-29H2,1-4H3,(H2,56,79)(H,63,80)(H,67,76)(H,68,78)(H,69,84)(H,70,83)(H,71,86)(H,72,85)(H,73,81)(H,74,82)(H4,57,58,64)(H4,59,60,65)(H4,61,62,66)/t34?,35?,36?,37?,38?,39?,40-,41?,43?/m1/s1
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6.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM86674
PNG
(ATC0175)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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7.23n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




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More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85975
PNG
(Gbu6,Ava14,15)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)CCCN=C(N)N
Show InChI InChI=1S/C49H82N16O11S3/c1-27(2)22-33-43(72)58-24-39(69)59-31(10-8-19-56-48(51)52)45(74)65-40(28(3)4)47(76)64-34(23-29-13-15-30(66)16-14-29)42(71)55-18-7-6-11-37(67)60-35(41(50)70)25-78-79-26-36(61-38(68)12-9-20-57-49(53)54)46(75)62-32(17-21-77-5)44(73)63-33/h13-16,27-28,31-36,40,66H,6-12,17-26H2,1-5H3,(H2,50,70)(H,55,71)(H,58,72)(H,59,69)(H,60,67)(H,61,68)(H,62,75)(H,63,73)(H,64,76)(H,65,74)(H4,51,52,56)(H4,53,54,57)
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7.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

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More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85959
PNG
(Gva6,cisAcx14,15)
Show SMILES CCC1CCCC(=O)NC(CSSCC(NC(=O)CCCCN=C(N)N)C(=O)NC(CCSC)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)C)C(=O)NC(Cc2ccc(O)cc2)C(=O)N1)C(N)=O
Show InChI InChI=1S/C52H88N16O11S3/c1-7-32-12-10-15-41(71)63-38(44(53)73)27-81-82-28-39(64-40(70)14-8-9-21-58-51(54)55)49(78)65-35(20-23-80-6)46(75)66-36(24-29(2)3)45(74)60-26-42(72)62-34(13-11-22-59-52(56)57)47(76)68-43(30(4)5)50(79)67-37(48(77)61-32)25-31-16-18-33(69)19-17-31/h16-19,29-30,32,34-39,43,69H,7-15,20-28H2,1-6H3,(H2,53,73)(H,60,74)(H,61,77)(H,62,72)(H,63,71)(H,64,70)(H,65,78)(H,66,75)(H,67,79)(H,68,76)(H4,54,55,58)(H4,56,57,59)
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10n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85955
PNG
(D-Arg6,Ava14,15)
Show SMILES CSCCC1NC(=O)[C@@H](CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)C(CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C52H87N17O12S3/c1-28(2)23-36-45(76)61-25-41(73)63-34(12-10-21-60-52(56)57)48(79)69-42(29(3)4)50(81)67-37(24-31-14-16-32(71)17-15-31)44(75)58-19-8-7-13-40(72)64-38(43(53)74)26-83-84-27-39(49(80)65-35(18-22-82-6)47(78)66-36)68-46(77)33(62-30(5)70)11-9-20-59-51(54)55/h14-17,28-29,33-39,42,71H,7-13,18-27H2,1-6H3,(H2,53,74)(H,58,75)(H,61,76)(H,62,70)(H,63,73)(H,64,72)(H,65,80)(H,66,78)(H,67,81)(H,68,77)(H,69,79)(H4,54,55,59)(H4,56,57,60)/t33?,34?,35?,36?,37?,38?,39-,42?/m1/s1
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11.3n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85947
PNG
(Gva6,Ava14,15 | Gva6,betaAla14,15)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)CCCCN=C(N)N
Show InChI InChI=1S/C50H84N16O11S3/c1-28(2)23-34-44(73)59-25-40(70)60-32(11-10-21-58-50(54)55)46(75)66-41(29(3)4)48(77)65-35(24-30-14-16-31(67)17-15-30)43(72)56-19-8-6-12-38(68)61-36(42(51)71)26-79-80-27-37(62-39(69)13-7-9-20-57-49(52)53)47(76)63-33(18-22-78-5)45(74)64-34/h14-17,28-29,32-37,41,67H,6-13,18-27H2,1-5H3,(H2,51,71)(H,56,72)(H,59,73)(H,60,70)(H,61,68)(H,62,69)(H,63,76)(H,64,74)(H,65,77)(H,66,75)(H4,52,53,57)(H4,54,55,58)
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14n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM86673
PNG
(ATC 0065 | ATC0065 | CAS_510732-84-0)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NCCc2ccc(Br)cc2OC(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C25H29BrF3N5O/c1-34(2)23-20-5-3-4-6-21(20)32-24(33-23)31-19-11-9-18(10-12-19)30-14-13-16-7-8-17(26)15-22(16)35-25(27,28)29/h3-8,15,18-19,30H,9-14H2,1-2H3,(H,31,32,33)/t18-,19+
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15.7n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85977
PNG
(Gva6,gammaAbu14,15)
Show SMILES CSCCC1NC(=O)C(CSSCC(NCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)CCCCN=C(N)N
Show InChI InChI=1S/C48H82N16O10S3/c1-27(2)22-33-42(70)58-24-38(67)59-31(10-8-18-57-48(52)53)44(72)64-39(28(3)4)46(74)63-34(23-29-12-14-30(65)15-13-29)41(69)55-20-9-19-54-35(40(49)68)25-76-77-26-36(60-37(66)11-6-7-17-56-47(50)51)45(73)61-32(16-21-75-5)43(71)62-33/h12-15,27-28,31-36,39,54,65H,6-11,16-26H2,1-5H3,(H2,49,68)(H,55,69)(H,58,70)(H,59,67)(H,60,66)(H,61,73)(H,62,71)(H,63,74)(H,64,72)(H4,50,51,56)(H4,52,53,57)
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24n/an/an/an/an/an/an/an/a



Merck Research Laboratories

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More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85971
PNG
(Gva6,Ala12,Ava14,15)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(N)=O)NC(=O)CCCCN=C(N)N
Show InChI InChI=1S/C48H80N16O11S3/c1-27(2)22-33-43(72)57-24-39(68)59-31(10-9-20-56-48(52)53)44(73)58-28(3)41(70)63-34(23-29-13-15-30(65)16-14-29)42(71)54-18-7-5-11-37(66)60-35(40(49)69)25-77-78-26-36(61-38(67)12-6-8-19-55-47(50)51)46(75)62-32(17-21-76-4)45(74)64-33/h13-16,27-28,31-36,65H,5-12,17-26H2,1-4H3,(H2,49,69)(H,54,71)(H,57,72)(H,58,73)(H,59,68)(H,60,66)(H,61,67)(H,62,75)(H,63,70)(H,64,74)(H4,50,51,55)(H4,52,53,56)
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25n/an/an/an/an/an/an/an/a



Merck Research Laboratories

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Citation and Details
More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85973
PNG
(Gpr6,Ava14,15)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)C(CCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C51H85N17O12S3/c1-27(2)22-35-44(75)60-24-40(72)62-32(10-9-19-58-50(53)54)47(78)68-41(28(3)4)49(80)66-36(23-30-12-14-31(70)15-13-30)43(74)57-18-8-7-11-39(71)63-37(42(52)73)25-82-83-26-38(48(79)64-34(17-21-81-6)46(77)65-35)67-45(76)33(61-29(5)69)16-20-59-51(55)56/h12-15,27-28,32-38,41,70H,7-11,16-26H2,1-6H3,(H2,52,73)(H,57,74)(H,60,75)(H,61,69)(H,62,72)(H,63,71)(H,64,79)(H,65,77)(H,66,80)(H,67,76)(H,68,78)(H4,53,54,58)(H4,55,56,59)
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43n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85963
PNG
(Gva6,Ava9,10,Ava14,15)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNCCCC1=O)C(C)C)C(N)=O)NC(=O)CCCCN=C(N)N
Show InChI InChI=1S/C47H79N15O10S3/c1-28(2)40-45(72)61-33(24-29-14-16-30(63)17-15-29)42(69)54-20-6-4-12-37(65)58-34(41(48)68)26-74-75-27-35(59-38(66)13-5-7-21-55-46(49)50)44(71)60-31(18-23-73-3)36(64)11-9-19-53-25-39(67)57-32(43(70)62-40)10-8-22-56-47(51)52/h14-17,28,31-35,40,53,63H,4-13,18-27H2,1-3H3,(H2,48,68)(H,54,69)(H,57,67)(H,58,65)(H,59,66)(H,60,71)(H,61,72)(H,62,70)(H4,49,50,55)(H4,51,52,56)
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45n/an/an/an/an/an/an/an/a



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Citation and Details
More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85947
PNG
(Gva6,Ava14,15 | Gva6,betaAla14,15)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)CCCCN=C(N)N
Show InChI InChI=1S/C50H84N16O11S3/c1-28(2)23-34-44(73)59-25-40(70)60-32(11-10-21-58-50(54)55)46(75)66-41(29(3)4)48(77)65-35(24-30-14-16-31(67)17-15-30)43(72)56-19-8-6-12-38(68)61-36(42(51)71)26-79-80-27-37(62-39(69)13-7-9-20-57-49(52)53)47(76)63-33(18-22-78-5)45(74)64-34/h14-17,28-29,32-37,41,67H,6-13,18-27H2,1-5H3,(H2,51,71)(H,56,72)(H,59,73)(H,60,70)(H,61,68)(H,62,69)(H,63,76)(H,64,74)(H,65,77)(H,66,75)(H4,52,53,57)(H4,54,55,58)
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53n/an/an/an/an/an/an/an/a



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Citation and Details
More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85960
PNG
(N-Me-Leu9)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)N(C)C1=O)C(C)C)C(N)=O)NC(=O)C(CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C59H99N21O13S3/c1-31(2)26-44-52(89)70-28-45(83)72-37(13-9-22-68-58(63)64)49(86)78-46(32(3)4)54(91)75-40(27-34-16-18-35(82)19-17-34)50(87)73-38(14-10-23-69-59(65)66)56(93)80-24-11-15-43(80)53(90)76-41(47(60)84)29-95-96-30-42(51(88)74-39(20-25-94-7)55(92)79(44)6)77-48(85)36(71-33(5)81)12-8-21-67-57(61)62/h16-19,31-32,36-44,46,82H,8-15,20-30H2,1-7H3,(H2,60,84)(H,70,89)(H,71,81)(H,72,83)(H,73,87)(H,74,88)(H,75,91)(H,76,90)(H,77,85)(H,78,86)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)
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62n/an/an/an/an/an/an/an/a



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Citation and Details
More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85952
PNG
(Ava9,10,Ava14,15)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CCCCNC1=O)C(C)C)C(N)=O)NC(=O)C(CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C49H82N16O11S3/c1-28(2)40-47(76)63-35(25-30-15-17-31(67)18-16-30)43(72)56-21-8-6-14-39(69)61-36(41(50)70)26-78-79-27-37(64-44(73)32(59-29(3)66)11-9-22-57-48(51)52)46(75)62-34(19-24-77-4)42(71)55-20-7-5-13-38(68)60-33(45(74)65-40)12-10-23-58-49(53)54/h15-18,28,32-37,40,67H,5-14,19-27H2,1-4H3,(H2,50,70)(H,55,71)(H,56,72)(H,59,66)(H,60,68)(H,61,69)(H,62,75)(H,63,76)(H,64,73)(H,65,74)(H4,51,52,57)(H4,53,54,58)
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65n/an/an/an/an/an/an/an/a



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Citation and Details
More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85968
PNG
(Gva6,Ava14,15, OH)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(O)=O)NC(=O)CCCCN=C(N)N
Show InChI InChI=1S/C50H83N15O12S3/c1-28(2)23-34-43(71)58-25-40(69)59-32(11-10-21-57-50(53)54)45(73)65-41(29(3)4)47(75)64-35(24-30-14-16-31(66)17-15-30)42(70)55-19-8-6-13-39(68)61-37(48(76)77)27-80-79-26-36(60-38(67)12-7-9-20-56-49(51)52)46(74)62-33(18-22-78-5)44(72)63-34/h14-17,28-29,32-37,41,66H,6-13,18-27H2,1-5H3,(H,55,70)(H,58,71)(H,59,69)(H,60,67)(H,61,68)(H,62,74)(H,63,72)(H,64,75)(H,65,73)(H,76,77)(H4,51,52,56)(H4,53,54,57)
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66n/an/an/an/an/an/an/an/a



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Citation and Details
More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85966
PNG
(Gva6,Gly14,15)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)CNC(=O)CNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)CCCCN=C(N)N
Show InChI InChI=1S/C49H81N17O12S3/c1-26(2)19-32-42(73)59-23-39(71)60-30(9-8-17-56-49(53)54)45(76)66-40(27(3)4)47(78)65-33(20-28-11-13-29(67)14-12-28)43(74)58-21-37(69)57-22-38(70)61-34(41(50)72)24-80-81-25-35(62-36(68)10-6-7-16-55-48(51)52)46(77)63-31(15-18-79-5)44(75)64-32/h11-14,26-27,30-35,40,67H,6-10,15-25H2,1-5H3,(H2,50,72)(H,57,69)(H,58,74)(H,59,73)(H,60,71)(H,61,70)(H,62,68)(H,63,77)(H,64,75)(H,65,78)(H,66,76)(H4,51,52,55)(H4,53,54,56)
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67n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85946
PNG
(D-Arg6,Ava9,10,Ava14,15)
Show SMILES CSCCC1NC(=O)C(N)CSSCN(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CCCCNC1=O)C(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(C)=O
Show InChI InChI=1S/C48H81N17O11S3/c1-28(2)39-45(75)61-36(25-30-15-17-31(67)18-16-30)42(72)55-21-8-6-14-38(69)64-65(48(76)62-34(43(73)58-29(3)66)12-10-23-57-47(52)53)27-79-78-26-32(49)40(70)60-35(19-24-77-4)41(71)54-20-7-5-13-37(68)59-33(44(74)63-39)11-9-22-56-46(50)51/h15-18,28,32-36,39,67H,5-14,19-27,49H2,1-4H3,(H,54,71)(H,55,72)(H,59,68)(H,60,70)(H,61,75)(H,62,76)(H,63,74)(H,64,69)(H4,50,51,56)(H4,52,53,57)(H,58,66,73)
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69n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85974
PNG
(Gva6,Ala8,Ava14,15)
Show SMILES CC(C)CC1NC(=O)C(C)NC(=O)C(CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC1=O)C(C)C)C(N)=O)NC(=O)CCCCN=C(N)N
Show InChI InChI=1S/C48H80N16O11S2/c1-26(2)21-32-43(72)57-23-38(68)59-31(11-10-20-56-48(52)53)44(73)64-39(27(3)4)46(75)63-33(22-29-14-16-30(65)17-15-29)42(71)54-18-8-6-12-36(66)60-34(40(49)69)24-76-77-25-35(45(74)58-28(5)41(70)62-32)61-37(67)13-7-9-19-55-47(50)51/h14-17,26-28,31-35,39,65H,6-13,18-25H2,1-5H3,(H2,49,69)(H,54,71)(H,57,72)(H,58,74)(H,59,68)(H,60,66)(H,61,67)(H,62,70)(H,63,75)(H,64,73)(H4,50,51,55)(H4,52,53,56)
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83n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85949
PNG
(Gva6,D-Cys7,Ava14,15)
Show SMILES CSCCC1NC(=O)[C@@H](CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)CCCCN=C(N)N
Show InChI InChI=1S/C50H84N16O11S3/c1-28(2)23-34-44(73)59-25-40(70)60-32(11-10-21-58-50(54)55)46(75)66-41(29(3)4)48(77)65-35(24-30-14-16-31(67)17-15-30)43(72)56-19-8-6-12-38(68)61-36(42(51)71)26-79-80-27-37(62-39(69)13-7-9-20-57-49(52)53)47(76)63-33(18-22-78-5)45(74)64-34/h14-17,28-29,32-37,41,67H,6-13,18-27H2,1-5H3,(H2,51,71)(H,56,72)(H,59,73)(H,60,70)(H,61,68)(H,62,69)(H,63,76)(H,64,74)(H,65,77)(H,66,75)(H4,52,53,57)(H4,54,55,58)/t32?,33?,34?,35?,36?,37-,41?/m1/s1
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120n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85945
PNG
(des(Ac-Arg6),Ava14,15 | desArg6,Ava14,15)
Show SMILES CSCCC1NC(=O)C(N)CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C44H73N13O10S3/c1-24(2)19-31-40(64)51-21-35(60)52-29(9-8-17-50-44(47)48)42(66)57-36(25(3)4)43(67)56-32(20-26-11-13-27(58)14-12-26)39(63)49-16-7-6-10-34(59)53-33(37(46)61)23-70-69-22-28(45)38(62)54-30(15-18-68-5)41(65)55-31/h11-14,24-25,28-33,36,58H,6-10,15-23,45H2,1-5H3,(H2,46,61)(H,49,63)(H,51,64)(H,52,60)(H,53,59)(H,54,62)(H,55,65)(H,56,67)(H,57,66)(H4,47,48,50)
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190n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85945
PNG
(des(Ac-Arg6),Ava14,15 | desArg6,Ava14,15)
Show SMILES CSCCC1NC(=O)C(N)CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C44H73N13O10S3/c1-24(2)19-31-40(64)51-21-35(60)52-29(9-8-17-50-44(47)48)42(66)57-36(25(3)4)43(67)56-32(20-26-11-13-27(58)14-12-26)39(63)49-16-7-6-10-34(59)53-33(37(46)61)23-70-69-22-28(45)38(62)54-30(15-18-68-5)41(65)55-31/h11-14,24-25,28-33,36,58H,6-10,15-23,45H2,1-5H3,(H2,46,61)(H,49,63)(H,51,64)(H,52,60)(H,53,59)(H,54,62)(H,55,65)(H,56,67)(H,57,66)(H4,47,48,50)
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300n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85967
PNG
(Gva6,alphaAbu8,Ava14,15)
Show SMILES CCC1NC(=O)C(CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)CCCCN=C(N)N
Show InChI InChI=1S/C49H82N16O11S2/c1-6-31-44(73)63-33(22-27(2)3)43(72)58-24-39(69)59-32(12-11-21-57-49(53)54)45(74)65-40(28(4)5)47(76)64-34(23-29-15-17-30(66)18-16-29)42(71)55-19-9-7-13-37(67)60-35(41(50)70)25-77-78-26-36(46(75)62-31)61-38(68)14-8-10-20-56-48(51)52/h15-18,27-28,31-36,40,66H,6-14,19-26H2,1-5H3,(H2,50,70)(H,55,71)(H,58,72)(H,59,69)(H,60,67)(H,61,68)(H,62,75)(H,63,73)(H,64,76)(H,65,74)(H4,51,52,56)(H4,53,54,57)
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320n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85957
PNG
(N-Me-Arg14)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)N(C)C(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)C(CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C59H99N21O13S3/c1-31(2)26-39-48(85)70-28-45(83)72-37(13-9-22-68-58(63)64)51(88)78-46(32(3)4)54(91)75-40(27-34-16-18-35(82)19-17-34)55(92)79(6)44(14-10-23-69-59(65)66)56(93)80-24-11-15-43(80)53(90)76-41(47(60)84)29-95-96-30-42(52(89)73-38(20-25-94-7)50(87)74-39)77-49(86)36(71-33(5)81)12-8-21-67-57(61)62/h16-19,31-32,36-44,46,82H,8-15,20-30H2,1-7H3,(H2,60,84)(H,70,85)(H,71,81)(H,72,83)(H,73,89)(H,74,87)(H,75,91)(H,76,90)(H,77,86)(H,78,88)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)
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330n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85950
PNG
(D-Cys7,Ava14,15)
Show SMILES CSCCC1NC(=O)[C@@H](CSSCC(NC(=O)CCCC(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O)C(C)C)C(N)=O)NC(=O)C(CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C56H96N20O12S3/c1-30(2)25-39-47(82)67-27-44(80)70-37(14-10-23-66-56(62)63)50(85)76-45(31(3)4)53(88)74-40(26-33-16-18-35(78)19-17-33)51(86)69-34(12-8-21-64-54(58)59)11-7-15-43(79)71-41(46(57)81)28-90-91-29-42(52(87)72-38(20-24-89-6)49(84)73-39)75-48(83)36(68-32(5)77)13-9-22-65-55(60)61/h16-19,30-31,34,36-42,45,78H,7-15,20-29H2,1-6H3,(H2,57,81)(H,67,82)(H,68,77)(H,69,86)(H,70,80)(H,71,79)(H,72,87)(H,73,84)(H,74,88)(H,75,83)(H,76,85)(H4,58,59,64)(H4,60,61,65)(H4,62,63,66)/t34?,36?,37?,38?,39?,40?,41?,42-,45?/m1/s1
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340n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85972
PNG
(Gva6,desLeu9,Ava14,15)
Show SMILES CSCCC1NC(=O)C(CSSCC(NC(=O)CCCCNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)CNC1=O)C(C)C)C(N)=O)NC(=O)CCCCN=C(N)N
Show InChI InChI=1S/C44H73N15O10S3/c1-25(2)36-42(69)58-30(21-26-12-14-27(60)15-13-26)39(66)50-17-6-4-10-33(61)55-31(37(45)64)23-71-72-24-32(56-34(62)11-5-7-18-51-43(46)47)41(68)57-29(16-20-70-3)38(65)53-22-35(63)54-28(40(67)59-36)9-8-19-52-44(48)49/h12-15,25,28-32,36,60H,4-11,16-24H2,1-3H3,(H2,45,64)(H,50,66)(H,53,65)(H,54,63)(H,55,61)(H,56,62)(H,57,68)(H,58,69)(H,59,67)(H4,46,47,51)(H4,48,49,52)
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1.35E+3n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
GPR24


(HUMAN)
BDBM85958
PNG
(Aoct8,9,10)
Show SMILES CC(C)C1NC(=O)C(CCCN=C(N)N)NC(=O)CCCCCCCNC(=O)C(CSSCC(NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC1=O)C(N)=O)NC(=O)C(CCCN=C(N)N)NC(C)=O
Show InChI InChI=1S/C53H89N19O11S2/c1-30(2)42-49(82)68-37(27-32-18-20-33(74)21-19-32)47(80)67-36(15-11-25-64-53(59)60)50(83)72-26-12-16-40(72)48(81)69-38(43(54)76)28-84-85-29-39(70-45(78)34(65-31(3)73)13-9-23-62-51(55)56)44(77)61-22-8-6-4-5-7-17-41(75)66-35(46(79)71-42)14-10-24-63-52(57)58/h18-21,30,34-40,42,74H,4-17,22-29H2,1-3H3,(H2,54,76)(H,61,77)(H,65,73)(H,66,75)(H,67,80)(H,68,82)(H,69,81)(H,70,78)(H,71,79)(H4,55,56,62)(H4,57,58,63)(H4,59,60,64)
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4.80E+3n/an/an/an/an/an/an/an/a



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More data for this
Ligand-Target Pair