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Compile Data Set for Download or QSAR

Found 79 hits Enz. Inhib. hit(s) with all data for entry = 5225   
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
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM82255
PNG
(D-Phe-Cys-Tyr-D-Trp-Lys-Abu-Cys-Nal-NH | NC8-12)
Show SMILES NCCCCC1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC(=O)C(CCCN)NC1=O)C(=O)NCc1cccc2ccccc12)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C57H69N11O8S2/c58-26-9-8-20-45-53(72)63-46(21-11-27-59)54(73)68-49(52(71)62-31-38-16-10-15-37-14-4-5-17-41(37)38)33-77-78-34-50(67-51(70)43(60)28-35-12-2-1-3-13-35)57(76)65-47(29-36-22-24-40(69)25-23-36)55(74)66-48(56(75)64-45)30-39-32-61-44-19-7-6-18-42(39)44/h1-7,10,12-19,22-25,32,43,45-50,61,69H,8-9,11,20-21,26-31,33-34,58-60H2,(H,62,71)(H,63,72)(H,64,75)(H,65,76)(H,66,74)(H,67,70)(H,68,73)
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0.0240n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM82460
PNG
(L-Ser-L-Ala-L-Asn-L-Ser-L-Asn-L-Pro-L-Ala-L-Met-L-...)
Show SMILES CSCCC(NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(C)NC(=O)C(N)CO)C(=O)NC(C)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(O)=O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)C(CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC1=O)[C@H](C)O)[C@H](C)O)C(O)=O |wU:211.220,130.221,wD:145.218,134.136,158.161,214.223,124.126,120.224,115.116,62.64,(6.16,1.45,;5.85,2.8,;5.24,3.82,;3.39,5.05,;1.54,6.16,;.92,4.93,;1.54,3.7,;3.39,2.59,;.92,2.46,;2.46,1.36,;.62,1.23,;3.39,,;5.85,60.59,;3.39,60.59,;5.5,59.26,;6.67,58.25,;5.85,58.03,;4.44,59.14,;5.03,57.91,;6.35,56.8,;4.87,56.68,;5.85,55.57,;6.56,54.33,;5.98,53.32,;6.71,53.19,;5.03,55.44,;5.5,54.21,;5.24,53.1,;4.5,52.98,;6.16,51.87,;6.75,50.64,;5.54,51.75,;6.08,50.51,;6.56,49.41,;5.5,49.28,;6.16,48.17,;6.67,46.94,;5.98,45.93,;6.71,45.8,;5.54,48.05,;5.85,46.82,;5.24,45.71,;4.5,45.59,;6.08,44.48,;5.4,44.35,;6.56,43.12,;6.56,42.01,;5.5,41.89,;5.03,40.66,;5.85,40.78,;6.35,39.43,;3.39,7.39,;5.24,6.28,;.92,8.62,;.62,9.86,;3.39,8.75,;.62,11.09,;2.46,9.98,;.62,12.32,;2.46,11.21,;4.31,11.43,;2.46,12.44,;.92,13.55,;1.54,14.78,;3.39,13.68,;.43,16.02,;.43,17.25,;1.91,16.14,;5.24,14.91,;5.85,13.89,;6.16,12.54,;6.16,11.3,;4.31,10.2,;6.16,10.07,;.92,18.48,;1.91,17.37,;.62,19.71,;.92,20.95,;2.46,19.84,;3.39,18.6,;3.39,17.59,;6.35,16.02,;4.87,16.23,;.92,22.18,;3.39,21.07,;.62,23.41,;.92,24.64,;2.46,23.53,;3.39,22.3,;5.85,21.28,;6.16,19.93,;5.85,18.82,;4.87,17.46,;6.35,17.25,;1.54,25.87,;3.39,24.76,;.92,27.11,;1.54,28.34,;3.39,27.23,;5.24,26,;5.85,24.98,;6.16,23.63,;5.85,22.52,;3.39,29.57,;5.24,28.46,;.92,30.8,;.92,32.03,;3.39,30.92,;1.54,33.27,;3.39,32.16,;1.54,34.5,;.92,35.73,;3.39,37.3,;3.39,35.85,;1.28,38.32,;.43,39.43,;.1,40.66,;.22,41.89,;2.33,43.46,;.7,44.48,;.06,45.59,;.1,46.82,;,48.05,;.92,46.94,;.22,49.28,;.62,48.17,;1.75,47.16,;.03,50.51,;,51.75,;.7,50.64,;.06,52.98,;.22,54.21,;.1,55.44,;1.28,54.33,;.43,56.68,;.92,55.57,;2.33,54.55,;.8,53.1,;1.85,51.96,;3.39,50.64,;2.46,51.75,;1.54,53.32,;.1,57.91,;.22,59.14,;.92,58.03,;.92,60.59,;1.28,59.26,;1.75,58.25,;3.39,57.01,;1.91,56.8,;3.39,55.44,;4.44,54.21,;3.76,53.1,;4.93,51.75,;5.4,50.51,;2.57,55.66,;3.39,54.43,;3.02,52.98,;2.28,53.19,;3.08,51.87,;4.06,50.85,;1.28,49.41,;1.85,48.27,;3.08,48.17,;3.39,46.82,;.8,45.71,;2.57,47.03,;2.46,48.05,;2.33,49.62,;3.7,52.09,;4.73,50.73,;4.44,49.28,;3.39,49.5,;4.31,48.27,;5.03,47.16,;3.02,45.59,;4.06,44.69,;5.5,43.25,;4.73,44.57,;3.76,45.71,;3.7,48.39,;4.21,46.94,;2.28,45.8,;1.54,45.93,;2.72,44.35,;4.44,43.12,;3.39,42.11,;3.39,40.66,;4.87,39.64,;4.21,40.78,;4.44,41.89,;2.04,44.57,;3.39,43.34,;2.33,42.23,;1.28,42.01,;1.75,41,;3.39,39.77,;5.5,38.32,;6.56,38.53,;.92,40.78,;1.91,39.55,;4.44,38.19,;3.39,38.41,;4.87,37.18,;5.85,36.07,;5.24,34.62,;5.24,33.39,;5.85,32.37,;.43,36.96,;.22,38.19,;1.91,37.09,;2.33,59.48,;2.57,58.12,;3.39,57.91,;.62,51.87,;1.37,50.85,;2.04,50.73,;.03,44.35,;.22,43.12,;1.28,43.25,)|
Show InChI InChI=1S/C137H207N41O39S3/c1-69(154-113(194)82(37-19-22-47-138)159-115(196)85(40-25-50-149-136(145)146)160-118(199)87(44-45-106(188)189)163-116(197)86(41-26-51-150-137(147)148)164-130(211)101-43-27-52-177(101)133(214)72(4)156-114(195)88(46-54-218-7)158-110(191)71(3)155-129(210)100-42-28-53-178(100)134(215)95(61-104(144)186)171-126(207)96(65-180)172-124(205)93(59-102(142)184)165-111(192)70(2)153-112(193)80(141)64-179)109(190)152-63-105(187)157-98-67-219-220-68-99(135(216)217)174-127(208)97(66-181)173-132(213)108(74(6)183)176-125(206)91(57-77-33-15-10-16-34-77)170-131(212)107(73(5)182)175-119(200)84(39-21-24-49-140)161-122(203)92(58-78-62-151-81-36-18-17-35-79(78)81)168-121(202)90(56-76-31-13-9-14-32-76)166-120(201)89(55-75-29-11-8-12-30-75)167-123(204)94(60-103(143)185)169-117(198)83(162-128(98)209)38-20-23-48-139/h8-18,29-36,62,69-74,80,82-101,107-108,151,179-183H,19-28,37-61,63-68,138-141H2,1-7H3,(H2,142,184)(H2,143,185)(H2,144,186)(H,152,190)(H,153,193)(H,154,194)(H,155,210)(H,156,195)(H,157,187)(H,158,191)(H,159,196)(H,160,199)(H,161,203)(H,162,209)(H,163,197)(H,164,211)(H,165,192)(H,166,201)(H,167,204)(H,168,202)(H,169,198)(H,170,212)(H,171,207)(H,172,205)(H,173,213)(H,174,208)(H,175,200)(H,176,206)(H,188,189)(H,216,217)(H4,145,146,149)(H4,147,148,150)/t69?,70?,71?,72?,73-,74-,80?,82?,83?,84?,85?,86?,87?,88?,89?,90?,91+,92+,93?,94?,95?,96?,97+,98-,99+,100?,101-,107-,108+/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM85521
PNG
(CAS_5311372 | L-779,976 | NSC_5311372)
Show SMILES CC(C(NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)NCC1CCCC(CN)C1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C33H43N7O3/c1-21(26-20-35-27-10-3-2-9-25(26)27)30(31(41)36-19-23-8-6-7-22(17-23)18-34)38-32(42)39-15-13-24(14-16-39)40-29-12-5-4-11-28(29)37-33(40)43/h2-5,9-12,20-24,30,35H,6-8,13-19,34H2,1H3,(H,36,41)(H,37,43)(H,38,42)
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0.0500n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM82255
PNG
(D-Phe-Cys-Tyr-D-Trp-Lys-Abu-Cys-Nal-NH | NC8-12)
Show SMILES NCCCCC1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC(=O)C(CCCN)NC1=O)C(=O)NCc1cccc2ccccc12)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C57H69N11O8S2/c58-26-9-8-20-45-53(72)63-46(21-11-27-59)54(73)68-49(52(71)62-31-38-16-10-15-37-14-4-5-17-41(37)38)33-77-78-34-50(67-51(70)43(60)28-35-12-2-1-3-13-35)57(76)65-47(29-36-22-24-40(69)25-23-36)55(74)66-48(56(75)64-45)30-39-32-61-44-19-7-6-18-42(39)44/h1-7,10,12-19,22-25,32,43,45-50,61,69H,8-9,11,20-21,26-31,33-34,58-60H2,(H,62,71)(H,63,72)(H,64,75)(H,65,76)(H,66,74)(H,67,70)(H,68,73)
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0.0900n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM82460
PNG
(L-Ser-L-Ala-L-Asn-L-Ser-L-Asn-L-Pro-L-Ala-L-Met-L-...)
Show SMILES CSCCC(NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(C)NC(=O)C(N)CO)C(=O)NC(C)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(O)=O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)C(CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC1=O)[C@H](C)O)[C@H](C)O)C(O)=O |wU:211.220,130.221,wD:145.218,134.136,158.161,214.223,124.126,120.224,115.116,62.64,(6.16,1.45,;5.85,2.8,;5.24,3.82,;3.39,5.05,;1.54,6.16,;.92,4.93,;1.54,3.7,;3.39,2.59,;.92,2.46,;2.46,1.36,;.62,1.23,;3.39,,;5.85,60.59,;3.39,60.59,;5.5,59.26,;6.67,58.25,;5.85,58.03,;4.44,59.14,;5.03,57.91,;6.35,56.8,;4.87,56.68,;5.85,55.57,;6.56,54.33,;5.98,53.32,;6.71,53.19,;5.03,55.44,;5.5,54.21,;5.24,53.1,;4.5,52.98,;6.16,51.87,;6.75,50.64,;5.54,51.75,;6.08,50.51,;6.56,49.41,;5.5,49.28,;6.16,48.17,;6.67,46.94,;5.98,45.93,;6.71,45.8,;5.54,48.05,;5.85,46.82,;5.24,45.71,;4.5,45.59,;6.08,44.48,;5.4,44.35,;6.56,43.12,;6.56,42.01,;5.5,41.89,;5.03,40.66,;5.85,40.78,;6.35,39.43,;3.39,7.39,;5.24,6.28,;.92,8.62,;.62,9.86,;3.39,8.75,;.62,11.09,;2.46,9.98,;.62,12.32,;2.46,11.21,;4.31,11.43,;2.46,12.44,;.92,13.55,;1.54,14.78,;3.39,13.68,;.43,16.02,;.43,17.25,;1.91,16.14,;5.24,14.91,;5.85,13.89,;6.16,12.54,;6.16,11.3,;4.31,10.2,;6.16,10.07,;.92,18.48,;1.91,17.37,;.62,19.71,;.92,20.95,;2.46,19.84,;3.39,18.6,;3.39,17.59,;6.35,16.02,;4.87,16.23,;.92,22.18,;3.39,21.07,;.62,23.41,;.92,24.64,;2.46,23.53,;3.39,22.3,;5.85,21.28,;6.16,19.93,;5.85,18.82,;4.87,17.46,;6.35,17.25,;1.54,25.87,;3.39,24.76,;.92,27.11,;1.54,28.34,;3.39,27.23,;5.24,26,;5.85,24.98,;6.16,23.63,;5.85,22.52,;3.39,29.57,;5.24,28.46,;.92,30.8,;.92,32.03,;3.39,30.92,;1.54,33.27,;3.39,32.16,;1.54,34.5,;.92,35.73,;3.39,37.3,;3.39,35.85,;1.28,38.32,;.43,39.43,;.1,40.66,;.22,41.89,;2.33,43.46,;.7,44.48,;.06,45.59,;.1,46.82,;,48.05,;.92,46.94,;.22,49.28,;.62,48.17,;1.75,47.16,;.03,50.51,;,51.75,;.7,50.64,;.06,52.98,;.22,54.21,;.1,55.44,;1.28,54.33,;.43,56.68,;.92,55.57,;2.33,54.55,;.8,53.1,;1.85,51.96,;3.39,50.64,;2.46,51.75,;1.54,53.32,;.1,57.91,;.22,59.14,;.92,58.03,;.92,60.59,;1.28,59.26,;1.75,58.25,;3.39,57.01,;1.91,56.8,;3.39,55.44,;4.44,54.21,;3.76,53.1,;4.93,51.75,;5.4,50.51,;2.57,55.66,;3.39,54.43,;3.02,52.98,;2.28,53.19,;3.08,51.87,;4.06,50.85,;1.28,49.41,;1.85,48.27,;3.08,48.17,;3.39,46.82,;.8,45.71,;2.57,47.03,;2.46,48.05,;2.33,49.62,;3.7,52.09,;4.73,50.73,;4.44,49.28,;3.39,49.5,;4.31,48.27,;5.03,47.16,;3.02,45.59,;4.06,44.69,;5.5,43.25,;4.73,44.57,;3.76,45.71,;3.7,48.39,;4.21,46.94,;2.28,45.8,;1.54,45.93,;2.72,44.35,;4.44,43.12,;3.39,42.11,;3.39,40.66,;4.87,39.64,;4.21,40.78,;4.44,41.89,;2.04,44.57,;3.39,43.34,;2.33,42.23,;1.28,42.01,;1.75,41,;3.39,39.77,;5.5,38.32,;6.56,38.53,;.92,40.78,;1.91,39.55,;4.44,38.19,;3.39,38.41,;4.87,37.18,;5.85,36.07,;5.24,34.62,;5.24,33.39,;5.85,32.37,;.43,36.96,;.22,38.19,;1.91,37.09,;2.33,59.48,;2.57,58.12,;3.39,57.91,;.62,51.87,;1.37,50.85,;2.04,50.73,;.03,44.35,;.22,43.12,;1.28,43.25,)|
Show InChI InChI=1S/C137H207N41O39S3/c1-69(154-113(194)82(37-19-22-47-138)159-115(196)85(40-25-50-149-136(145)146)160-118(199)87(44-45-106(188)189)163-116(197)86(41-26-51-150-137(147)148)164-130(211)101-43-27-52-177(101)133(214)72(4)156-114(195)88(46-54-218-7)158-110(191)71(3)155-129(210)100-42-28-53-178(100)134(215)95(61-104(144)186)171-126(207)96(65-180)172-124(205)93(59-102(142)184)165-111(192)70(2)153-112(193)80(141)64-179)109(190)152-63-105(187)157-98-67-219-220-68-99(135(216)217)174-127(208)97(66-181)173-132(213)108(74(6)183)176-125(206)91(57-77-33-15-10-16-34-77)170-131(212)107(73(5)182)175-119(200)84(39-21-24-49-140)161-122(203)92(58-78-62-151-81-36-18-17-35-79(78)81)168-121(202)90(56-76-31-13-9-14-32-76)166-120(201)89(55-75-29-11-8-12-30-75)167-123(204)94(60-103(143)185)169-117(198)83(162-128(98)209)38-20-23-48-139/h8-18,29-36,62,69-74,80,82-101,107-108,151,179-183H,19-28,37-61,63-68,138-141H2,1-7H3,(H2,142,184)(H2,143,185)(H2,144,186)(H,152,190)(H,153,193)(H,154,194)(H,155,210)(H,156,195)(H,157,187)(H,158,191)(H,159,196)(H,160,199)(H,161,203)(H,162,209)(H,163,197)(H,164,211)(H,165,192)(H,166,201)(H,167,204)(H,168,202)(H,169,198)(H,170,212)(H,171,207)(H,172,205)(H,173,213)(H,174,208)(H,175,200)(H,176,206)(H,188,189)(H,216,217)(H4,145,146,149)(H4,147,148,150)/t69?,70?,71?,72?,73-,74-,80?,82?,83?,84?,85?,86?,87?,88?,89?,90?,91+,92+,93?,94?,95?,96?,97+,98-,99+,100?,101-,107-,108+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50051568
PNG
((3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C44H56N8O7/c1-26(2)38-43(58)50-37(23-28-12-6-5-7-13-28)44(59)52(4)27(3)39(54)48-35(22-29-17-19-31(53)20-18-29)41(56)49-36(24-30-25-46-33-15-9-8-14-32(30)33)42(57)47-34(40(55)51-38)16-10-11-21-45/h5-9,12-15,17-20,25-27,34-38,46,53H,10-11,16,21-24,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,58)(H,51,55)/t27-,34-,35-,36+,37-,38-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM85052
PNG
(BIM 23197 | BIM-23197)
Show InChI InChI=1S/C57H81N13O13S3/c1-3-41-51(75)65-48(57(81)67-49(35(2)72)50(59)74)34-85-84-33-47(66-55(79)46(30-36-11-5-4-6-12-36)68-86(82,83)28-26-70-23-21-69(22-24-70)25-27-71)56(80)63-44(29-37-16-18-39(73)19-17-37)53(77)64-45(31-38-32-60-42-14-8-7-13-40(38)42)54(78)62-43(52(76)61-41)15-9-10-20-58/h4-8,11-14,16-19,32,35,41,43-49,60,68,71-73H,3,9-10,15,20-31,33-34,58H2,1-2H3,(H2,59,74)(H,61,76)(H,62,78)(H,63,80)(H,64,77)(H,65,75)(H,66,79)(H,67,81)/t35-,41+,43+,44+,45-,46-,47+,48+,49+/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM82460
PNG
(L-Ser-L-Ala-L-Asn-L-Ser-L-Asn-L-Pro-L-Ala-L-Met-L-...)
Show SMILES CSCCC(NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(C)NC(=O)C(N)CO)C(=O)NC(C)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(O)=O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)C(CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC1=O)[C@H](C)O)[C@H](C)O)C(O)=O |wU:211.220,130.221,wD:145.218,134.136,158.161,214.223,124.126,120.224,115.116,62.64,(6.16,1.45,;5.85,2.8,;5.24,3.82,;3.39,5.05,;1.54,6.16,;.92,4.93,;1.54,3.7,;3.39,2.59,;.92,2.46,;2.46,1.36,;.62,1.23,;3.39,,;5.85,60.59,;3.39,60.59,;5.5,59.26,;6.67,58.25,;5.85,58.03,;4.44,59.14,;5.03,57.91,;6.35,56.8,;4.87,56.68,;5.85,55.57,;6.56,54.33,;5.98,53.32,;6.71,53.19,;5.03,55.44,;5.5,54.21,;5.24,53.1,;4.5,52.98,;6.16,51.87,;6.75,50.64,;5.54,51.75,;6.08,50.51,;6.56,49.41,;5.5,49.28,;6.16,48.17,;6.67,46.94,;5.98,45.93,;6.71,45.8,;5.54,48.05,;5.85,46.82,;5.24,45.71,;4.5,45.59,;6.08,44.48,;5.4,44.35,;6.56,43.12,;6.56,42.01,;5.5,41.89,;5.03,40.66,;5.85,40.78,;6.35,39.43,;3.39,7.39,;5.24,6.28,;.92,8.62,;.62,9.86,;3.39,8.75,;.62,11.09,;2.46,9.98,;.62,12.32,;2.46,11.21,;4.31,11.43,;2.46,12.44,;.92,13.55,;1.54,14.78,;3.39,13.68,;.43,16.02,;.43,17.25,;1.91,16.14,;5.24,14.91,;5.85,13.89,;6.16,12.54,;6.16,11.3,;4.31,10.2,;6.16,10.07,;.92,18.48,;1.91,17.37,;.62,19.71,;.92,20.95,;2.46,19.84,;3.39,18.6,;3.39,17.59,;6.35,16.02,;4.87,16.23,;.92,22.18,;3.39,21.07,;.62,23.41,;.92,24.64,;2.46,23.53,;3.39,22.3,;5.85,21.28,;6.16,19.93,;5.85,18.82,;4.87,17.46,;6.35,17.25,;1.54,25.87,;3.39,24.76,;.92,27.11,;1.54,28.34,;3.39,27.23,;5.24,26,;5.85,24.98,;6.16,23.63,;5.85,22.52,;3.39,29.57,;5.24,28.46,;.92,30.8,;.92,32.03,;3.39,30.92,;1.54,33.27,;3.39,32.16,;1.54,34.5,;.92,35.73,;3.39,37.3,;3.39,35.85,;1.28,38.32,;.43,39.43,;.1,40.66,;.22,41.89,;2.33,43.46,;.7,44.48,;.06,45.59,;.1,46.82,;,48.05,;.92,46.94,;.22,49.28,;.62,48.17,;1.75,47.16,;.03,50.51,;,51.75,;.7,50.64,;.06,52.98,;.22,54.21,;.1,55.44,;1.28,54.33,;.43,56.68,;.92,55.57,;2.33,54.55,;.8,53.1,;1.85,51.96,;3.39,50.64,;2.46,51.75,;1.54,53.32,;.1,57.91,;.22,59.14,;.92,58.03,;.92,60.59,;1.28,59.26,;1.75,58.25,;3.39,57.01,;1.91,56.8,;3.39,55.44,;4.44,54.21,;3.76,53.1,;4.93,51.75,;5.4,50.51,;2.57,55.66,;3.39,54.43,;3.02,52.98,;2.28,53.19,;3.08,51.87,;4.06,50.85,;1.28,49.41,;1.85,48.27,;3.08,48.17,;3.39,46.82,;.8,45.71,;2.57,47.03,;2.46,48.05,;2.33,49.62,;3.7,52.09,;4.73,50.73,;4.44,49.28,;3.39,49.5,;4.31,48.27,;5.03,47.16,;3.02,45.59,;4.06,44.69,;5.5,43.25,;4.73,44.57,;3.76,45.71,;3.7,48.39,;4.21,46.94,;2.28,45.8,;1.54,45.93,;2.72,44.35,;4.44,43.12,;3.39,42.11,;3.39,40.66,;4.87,39.64,;4.21,40.78,;4.44,41.89,;2.04,44.57,;3.39,43.34,;2.33,42.23,;1.28,42.01,;1.75,41,;3.39,39.77,;5.5,38.32,;6.56,38.53,;.92,40.78,;1.91,39.55,;4.44,38.19,;3.39,38.41,;4.87,37.18,;5.85,36.07,;5.24,34.62,;5.24,33.39,;5.85,32.37,;.43,36.96,;.22,38.19,;1.91,37.09,;2.33,59.48,;2.57,58.12,;3.39,57.91,;.62,51.87,;1.37,50.85,;2.04,50.73,;.03,44.35,;.22,43.12,;1.28,43.25,)|
Show InChI InChI=1S/C137H207N41O39S3/c1-69(154-113(194)82(37-19-22-47-138)159-115(196)85(40-25-50-149-136(145)146)160-118(199)87(44-45-106(188)189)163-116(197)86(41-26-51-150-137(147)148)164-130(211)101-43-27-52-177(101)133(214)72(4)156-114(195)88(46-54-218-7)158-110(191)71(3)155-129(210)100-42-28-53-178(100)134(215)95(61-104(144)186)171-126(207)96(65-180)172-124(205)93(59-102(142)184)165-111(192)70(2)153-112(193)80(141)64-179)109(190)152-63-105(187)157-98-67-219-220-68-99(135(216)217)174-127(208)97(66-181)173-132(213)108(74(6)183)176-125(206)91(57-77-33-15-10-16-34-77)170-131(212)107(73(5)182)175-119(200)84(39-21-24-49-140)161-122(203)92(58-78-62-151-81-36-18-17-35-79(78)81)168-121(202)90(56-76-31-13-9-14-32-76)166-120(201)89(55-75-29-11-8-12-30-75)167-123(204)94(60-103(143)185)169-117(198)83(162-128(98)209)38-20-23-48-139/h8-18,29-36,62,69-74,80,82-101,107-108,151,179-183H,19-28,37-61,63-68,138-141H2,1-7H3,(H2,142,184)(H2,143,185)(H2,144,186)(H,152,190)(H,153,193)(H,154,194)(H,155,210)(H,156,195)(H,157,187)(H,158,191)(H,159,196)(H,160,199)(H,161,203)(H,162,209)(H,163,197)(H,164,211)(H,165,192)(H,166,201)(H,167,204)(H,168,202)(H,169,198)(H,170,212)(H,171,207)(H,172,205)(H,173,213)(H,174,208)(H,175,200)(H,176,206)(H,188,189)(H,216,217)(H4,145,146,149)(H4,147,148,150)/t69?,70?,71?,72?,73-,74-,80?,82?,83?,84?,85?,86?,87?,88?,89?,90?,91+,92+,93?,94?,95?,96?,97+,98-,99+,100?,101-,107-,108+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM82460
PNG
(L-Ser-L-Ala-L-Asn-L-Ser-L-Asn-L-Pro-L-Ala-L-Met-L-...)
Show SMILES CSCCC(NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(C)NC(=O)C(N)CO)C(=O)NC(C)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(O)=O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)C(CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC1=O)[C@H](C)O)[C@H](C)O)C(O)=O |wU:211.220,130.221,wD:145.218,134.136,158.161,214.223,124.126,120.224,115.116,62.64,(6.16,1.45,;5.85,2.8,;5.24,3.82,;3.39,5.05,;1.54,6.16,;.92,4.93,;1.54,3.7,;3.39,2.59,;.92,2.46,;2.46,1.36,;.62,1.23,;3.39,,;5.85,60.59,;3.39,60.59,;5.5,59.26,;6.67,58.25,;5.85,58.03,;4.44,59.14,;5.03,57.91,;6.35,56.8,;4.87,56.68,;5.85,55.57,;6.56,54.33,;5.98,53.32,;6.71,53.19,;5.03,55.44,;5.5,54.21,;5.24,53.1,;4.5,52.98,;6.16,51.87,;6.75,50.64,;5.54,51.75,;6.08,50.51,;6.56,49.41,;5.5,49.28,;6.16,48.17,;6.67,46.94,;5.98,45.93,;6.71,45.8,;5.54,48.05,;5.85,46.82,;5.24,45.71,;4.5,45.59,;6.08,44.48,;5.4,44.35,;6.56,43.12,;6.56,42.01,;5.5,41.89,;5.03,40.66,;5.85,40.78,;6.35,39.43,;3.39,7.39,;5.24,6.28,;.92,8.62,;.62,9.86,;3.39,8.75,;.62,11.09,;2.46,9.98,;.62,12.32,;2.46,11.21,;4.31,11.43,;2.46,12.44,;.92,13.55,;1.54,14.78,;3.39,13.68,;.43,16.02,;.43,17.25,;1.91,16.14,;5.24,14.91,;5.85,13.89,;6.16,12.54,;6.16,11.3,;4.31,10.2,;6.16,10.07,;.92,18.48,;1.91,17.37,;.62,19.71,;.92,20.95,;2.46,19.84,;3.39,18.6,;3.39,17.59,;6.35,16.02,;4.87,16.23,;.92,22.18,;3.39,21.07,;.62,23.41,;.92,24.64,;2.46,23.53,;3.39,22.3,;5.85,21.28,;6.16,19.93,;5.85,18.82,;4.87,17.46,;6.35,17.25,;1.54,25.87,;3.39,24.76,;.92,27.11,;1.54,28.34,;3.39,27.23,;5.24,26,;5.85,24.98,;6.16,23.63,;5.85,22.52,;3.39,29.57,;5.24,28.46,;.92,30.8,;.92,32.03,;3.39,30.92,;1.54,33.27,;3.39,32.16,;1.54,34.5,;.92,35.73,;3.39,37.3,;3.39,35.85,;1.28,38.32,;.43,39.43,;.1,40.66,;.22,41.89,;2.33,43.46,;.7,44.48,;.06,45.59,;.1,46.82,;,48.05,;.92,46.94,;.22,49.28,;.62,48.17,;1.75,47.16,;.03,50.51,;,51.75,;.7,50.64,;.06,52.98,;.22,54.21,;.1,55.44,;1.28,54.33,;.43,56.68,;.92,55.57,;2.33,54.55,;.8,53.1,;1.85,51.96,;3.39,50.64,;2.46,51.75,;1.54,53.32,;.1,57.91,;.22,59.14,;.92,58.03,;.92,60.59,;1.28,59.26,;1.75,58.25,;3.39,57.01,;1.91,56.8,;3.39,55.44,;4.44,54.21,;3.76,53.1,;4.93,51.75,;5.4,50.51,;2.57,55.66,;3.39,54.43,;3.02,52.98,;2.28,53.19,;3.08,51.87,;4.06,50.85,;1.28,49.41,;1.85,48.27,;3.08,48.17,;3.39,46.82,;.8,45.71,;2.57,47.03,;2.46,48.05,;2.33,49.62,;3.7,52.09,;4.73,50.73,;4.44,49.28,;3.39,49.5,;4.31,48.27,;5.03,47.16,;3.02,45.59,;4.06,44.69,;5.5,43.25,;4.73,44.57,;3.76,45.71,;3.7,48.39,;4.21,46.94,;2.28,45.8,;1.54,45.93,;2.72,44.35,;4.44,43.12,;3.39,42.11,;3.39,40.66,;4.87,39.64,;4.21,40.78,;4.44,41.89,;2.04,44.57,;3.39,43.34,;2.33,42.23,;1.28,42.01,;1.75,41,;3.39,39.77,;5.5,38.32,;6.56,38.53,;.92,40.78,;1.91,39.55,;4.44,38.19,;3.39,38.41,;4.87,37.18,;5.85,36.07,;5.24,34.62,;5.24,33.39,;5.85,32.37,;.43,36.96,;.22,38.19,;1.91,37.09,;2.33,59.48,;2.57,58.12,;3.39,57.91,;.62,51.87,;1.37,50.85,;2.04,50.73,;.03,44.35,;.22,43.12,;1.28,43.25,)|
Show InChI InChI=1S/C137H207N41O39S3/c1-69(154-113(194)82(37-19-22-47-138)159-115(196)85(40-25-50-149-136(145)146)160-118(199)87(44-45-106(188)189)163-116(197)86(41-26-51-150-137(147)148)164-130(211)101-43-27-52-177(101)133(214)72(4)156-114(195)88(46-54-218-7)158-110(191)71(3)155-129(210)100-42-28-53-178(100)134(215)95(61-104(144)186)171-126(207)96(65-180)172-124(205)93(59-102(142)184)165-111(192)70(2)153-112(193)80(141)64-179)109(190)152-63-105(187)157-98-67-219-220-68-99(135(216)217)174-127(208)97(66-181)173-132(213)108(74(6)183)176-125(206)91(57-77-33-15-10-16-34-77)170-131(212)107(73(5)182)175-119(200)84(39-21-24-49-140)161-122(203)92(58-78-62-151-81-36-18-17-35-79(78)81)168-121(202)90(56-76-31-13-9-14-32-76)166-120(201)89(55-75-29-11-8-12-30-75)167-123(204)94(60-103(143)185)169-117(198)83(162-128(98)209)38-20-23-48-139/h8-18,29-36,62,69-74,80,82-101,107-108,151,179-183H,19-28,37-61,63-68,138-141H2,1-7H3,(H2,142,184)(H2,143,185)(H2,144,186)(H,152,190)(H,153,193)(H,154,194)(H,155,210)(H,156,195)(H,157,187)(H,158,191)(H,159,196)(H,160,199)(H,161,203)(H,162,209)(H,163,197)(H,164,211)(H,165,192)(H,166,201)(H,167,204)(H,168,202)(H,169,198)(H,170,212)(H,171,207)(H,172,205)(H,173,213)(H,174,208)(H,175,200)(H,176,206)(H,188,189)(H,216,217)(H4,145,146,149)(H4,147,148,150)/t69?,70?,71?,72?,73-,74-,80?,82?,83?,84?,85?,86?,87?,88?,89?,90?,91+,92+,93?,94?,95?,96?,97+,98-,99+,100?,101-,107-,108+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM82460
PNG
(L-Ser-L-Ala-L-Asn-L-Ser-L-Asn-L-Pro-L-Ala-L-Met-L-...)
Show SMILES CSCCC(NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(C)NC(=O)C(N)CO)C(=O)NC(C)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(O)=O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)C(CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC1=O)[C@H](C)O)[C@H](C)O)C(O)=O |wU:211.220,130.221,wD:145.218,134.136,158.161,214.223,124.126,120.224,115.116,62.64,(6.16,1.45,;5.85,2.8,;5.24,3.82,;3.39,5.05,;1.54,6.16,;.92,4.93,;1.54,3.7,;3.39,2.59,;.92,2.46,;2.46,1.36,;.62,1.23,;3.39,,;5.85,60.59,;3.39,60.59,;5.5,59.26,;6.67,58.25,;5.85,58.03,;4.44,59.14,;5.03,57.91,;6.35,56.8,;4.87,56.68,;5.85,55.57,;6.56,54.33,;5.98,53.32,;6.71,53.19,;5.03,55.44,;5.5,54.21,;5.24,53.1,;4.5,52.98,;6.16,51.87,;6.75,50.64,;5.54,51.75,;6.08,50.51,;6.56,49.41,;5.5,49.28,;6.16,48.17,;6.67,46.94,;5.98,45.93,;6.71,45.8,;5.54,48.05,;5.85,46.82,;5.24,45.71,;4.5,45.59,;6.08,44.48,;5.4,44.35,;6.56,43.12,;6.56,42.01,;5.5,41.89,;5.03,40.66,;5.85,40.78,;6.35,39.43,;3.39,7.39,;5.24,6.28,;.92,8.62,;.62,9.86,;3.39,8.75,;.62,11.09,;2.46,9.98,;.62,12.32,;2.46,11.21,;4.31,11.43,;2.46,12.44,;.92,13.55,;1.54,14.78,;3.39,13.68,;.43,16.02,;.43,17.25,;1.91,16.14,;5.24,14.91,;5.85,13.89,;6.16,12.54,;6.16,11.3,;4.31,10.2,;6.16,10.07,;.92,18.48,;1.91,17.37,;.62,19.71,;.92,20.95,;2.46,19.84,;3.39,18.6,;3.39,17.59,;6.35,16.02,;4.87,16.23,;.92,22.18,;3.39,21.07,;.62,23.41,;.92,24.64,;2.46,23.53,;3.39,22.3,;5.85,21.28,;6.16,19.93,;5.85,18.82,;4.87,17.46,;6.35,17.25,;1.54,25.87,;3.39,24.76,;.92,27.11,;1.54,28.34,;3.39,27.23,;5.24,26,;5.85,24.98,;6.16,23.63,;5.85,22.52,;3.39,29.57,;5.24,28.46,;.92,30.8,;.92,32.03,;3.39,30.92,;1.54,33.27,;3.39,32.16,;1.54,34.5,;.92,35.73,;3.39,37.3,;3.39,35.85,;1.28,38.32,;.43,39.43,;.1,40.66,;.22,41.89,;2.33,43.46,;.7,44.48,;.06,45.59,;.1,46.82,;,48.05,;.92,46.94,;.22,49.28,;.62,48.17,;1.75,47.16,;.03,50.51,;,51.75,;.7,50.64,;.06,52.98,;.22,54.21,;.1,55.44,;1.28,54.33,;.43,56.68,;.92,55.57,;2.33,54.55,;.8,53.1,;1.85,51.96,;3.39,50.64,;2.46,51.75,;1.54,53.32,;.1,57.91,;.22,59.14,;.92,58.03,;.92,60.59,;1.28,59.26,;1.75,58.25,;3.39,57.01,;1.91,56.8,;3.39,55.44,;4.44,54.21,;3.76,53.1,;4.93,51.75,;5.4,50.51,;2.57,55.66,;3.39,54.43,;3.02,52.98,;2.28,53.19,;3.08,51.87,;4.06,50.85,;1.28,49.41,;1.85,48.27,;3.08,48.17,;3.39,46.82,;.8,45.71,;2.57,47.03,;2.46,48.05,;2.33,49.62,;3.7,52.09,;4.73,50.73,;4.44,49.28,;3.39,49.5,;4.31,48.27,;5.03,47.16,;3.02,45.59,;4.06,44.69,;5.5,43.25,;4.73,44.57,;3.76,45.71,;3.7,48.39,;4.21,46.94,;2.28,45.8,;1.54,45.93,;2.72,44.35,;4.44,43.12,;3.39,42.11,;3.39,40.66,;4.87,39.64,;4.21,40.78,;4.44,41.89,;2.04,44.57,;3.39,43.34,;2.33,42.23,;1.28,42.01,;1.75,41,;3.39,39.77,;5.5,38.32,;6.56,38.53,;.92,40.78,;1.91,39.55,;4.44,38.19,;3.39,38.41,;4.87,37.18,;5.85,36.07,;5.24,34.62,;5.24,33.39,;5.85,32.37,;.43,36.96,;.22,38.19,;1.91,37.09,;2.33,59.48,;2.57,58.12,;3.39,57.91,;.62,51.87,;1.37,50.85,;2.04,50.73,;.03,44.35,;.22,43.12,;1.28,43.25,)|
Show InChI InChI=1S/C137H207N41O39S3/c1-69(154-113(194)82(37-19-22-47-138)159-115(196)85(40-25-50-149-136(145)146)160-118(199)87(44-45-106(188)189)163-116(197)86(41-26-51-150-137(147)148)164-130(211)101-43-27-52-177(101)133(214)72(4)156-114(195)88(46-54-218-7)158-110(191)71(3)155-129(210)100-42-28-53-178(100)134(215)95(61-104(144)186)171-126(207)96(65-180)172-124(205)93(59-102(142)184)165-111(192)70(2)153-112(193)80(141)64-179)109(190)152-63-105(187)157-98-67-219-220-68-99(135(216)217)174-127(208)97(66-181)173-132(213)108(74(6)183)176-125(206)91(57-77-33-15-10-16-34-77)170-131(212)107(73(5)182)175-119(200)84(39-21-24-49-140)161-122(203)92(58-78-62-151-81-36-18-17-35-79(78)81)168-121(202)90(56-76-31-13-9-14-32-76)166-120(201)89(55-75-29-11-8-12-30-75)167-123(204)94(60-103(143)185)169-117(198)83(162-128(98)209)38-20-23-48-139/h8-18,29-36,62,69-74,80,82-101,107-108,151,179-183H,19-28,37-61,63-68,138-141H2,1-7H3,(H2,142,184)(H2,143,185)(H2,144,186)(H,152,190)(H,153,193)(H,154,194)(H,155,210)(H,156,195)(H,157,187)(H,158,191)(H,159,196)(H,160,199)(H,161,203)(H,162,209)(H,163,197)(H,164,211)(H,165,192)(H,166,201)(H,167,204)(H,168,202)(H,169,198)(H,170,212)(H,171,207)(H,172,205)(H,173,213)(H,174,208)(H,175,200)(H,176,206)(H,188,189)(H,216,217)(H4,145,146,149)(H4,147,148,150)/t69?,70?,71?,72?,73-,74-,80?,82?,83?,84?,85?,86?,87?,88?,89?,90?,91+,92+,93?,94?,95?,96?,97+,98-,99+,100?,101-,107-,108+/m0/s1
Reactome pathway
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0.300n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50063839
PNG
(BIM 23268 | CHEMBL263606 | H-cyclo[DCys-Phe-Phe-DT...)
Show SMILES CC(O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C54H67N11O9S2/c1-32(66)46-54(74)63-43(27-35-19-9-4-10-20-35)52(72)64-45(47(57)67)31-76-75-30-38(56)48(68)60-41(25-33-15-5-2-6-16-33)50(70)61-42(26-34-17-7-3-8-18-34)51(71)62-44(28-36-29-58-39-22-12-11-21-37(36)39)53(73)59-40(49(69)65-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,58,66H,13-14,23-28,30-31,55-56H2,1H3,(H2,57,67)(H,59,73)(H,60,68)(H,61,70)(H,62,71)(H,63,74)(H,64,72)(H,65,69)/t32?,38-,40+,41-,42+,43+,44+,45-,46-/m1/s1
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0.370n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50232821
PNG
((S)-((S)-2-aminopropyl) 6-amino-2-(2-(2-(naphthale...)
Show SMILES C[C@H](N)COC(=O)[C@H](CCCCN)NC(=O)Cc1c([nH]c2c1ccc1ccccc21)-c1ccc2ccccc2c1
Show InChI InChI=1S/C33H36N4O3/c1-21(35)20-40-33(39)29(12-6-7-17-34)36-30(38)19-28-27-16-15-23-9-4-5-11-26(23)32(27)37-31(28)25-14-13-22-8-2-3-10-24(22)18-25/h2-5,8-11,13-16,18,21,29,37H,6-7,12,17,19-20,34-35H2,1H3,(H,36,38)/t21-,29-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50059090
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES CC(O)[C@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@H](C(C)O)C(=O)N1
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28?,29?,34?,36-,37-,38-,39+,40?,41+,42-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM85246
PNG
(CST17 | Cortistatin | Cortistatin-17 | L-Asp-L-Arg...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O |wU:67.141,135.143,56.57,71.73,50.51,44.45,94.98,105.110,141.147,116.122,124.130,8.15,19.19,wD:80.82,40.144,35.35,31.32,4.4,(40.86,-1.58,;39.4,-1.1,;38.25,-2.13,;36.79,-1.65,;35.64,-2.68,;35.97,-4.19,;37.43,-4.67,;38.57,-3.64,;37.75,-6.17,;36.61,-7.2,;36.93,-8.71,;35.78,-9.74,;36.1,-11.25,;34.96,-12.28,;35.28,-13.78,;33.49,-11.8,;39.21,-6.65,;39.53,-8.16,;38.39,-9.19,;41,-8.63,;42.14,-7.6,;41.32,-10.14,;42.78,-10.61,;43.1,-12.12,;43.93,-9.58,;34.18,-2.21,;33.04,-3.24,;33.86,-.7,;34.89,.44,;34.12,1.78,;32.61,1.46,;32.45,-.08,;31.12,-.85,;31.12,-2.39,;29.79,-.08,;28.45,-.85,;27.12,-.08,;27.12,1.46,;25.79,2.23,;25.79,3.77,;24.45,4.54,;23.12,3.77,;23.12,2.23,;24.45,1.46,;21.78,1.46,;20.45,2.23,;20.45,3.77,;21.78,-.08,;20.45,-.85,;20.45,-2.39,;19.12,-.08,;19.12,1.46,;17.78,2.23,;17.78,-.85,;17.78,-2.39,;19.12,-3.16,;16.45,-3.16,;15.12,-2.39,;15.12,-.85,;16.45,-.08,;16.45,1.46,;15.12,2.23,;13.78,1.46,;13.78,-.08,;16.45,-4.7,;15.12,-5.47,;13.78,-6.24,;13.78,-4.7,;12.45,-5.47,;11.11,-4.7,;11.11,-3.16,;9.78,-5.47,;8.33,-4.94,;6.89,-5.47,;5.71,-4.48,;4.26,-5,;3.08,-4.01,;9.78,-7.01,;11.11,-7.78,;11.11,-9.32,;12.45,-7.01,;11.92,-5.56,;10.4,-5.29,;9.3,-6.36,;7.95,-5.64,;8.21,-4.13,;7.26,-2.92,;7.83,-1.49,;9.36,-1.27,;10.31,-2.49,;9.74,-3.92,;13.78,-7.78,;15.12,-7.01,;16.45,-6.24,;16.45,-7.78,;16.45,-9.32,;15.12,-10.09,;13.78,-9.32,;12.45,-10.09,;12.45,-11.63,;13.78,-12.4,;15.12,-11.63,;17.78,-7.01,;19.12,-7.78,;19.12,-9.32,;20.45,-7.01,;21.78,-7.78,;21.78,-9.32,;20.45,-10.09,;20.45,-11.63,;21.78,-12.4,;23.12,-11.63,;23.12,-10.09,;20.45,-5.47,;21.78,-4.7,;21.78,-3.16,;23.12,-5.47,;23.12,-7.01,;24.45,-7.78,;24.45,-9.32,;25.97,-8.04,;24.45,-4.7,;25.79,-5.47,;26.77,-6.65,;27.12,-4.7,;28.45,-5.47,;28.45,-7.01,;29.79,-7.78,;29.79,-9.32,;31.12,-10.09,;31.12,-11.63,;32.45,-9.32,;27.12,-3.16,;28.45,-2.39,;29.79,-3.16,;13.78,-3.16,;13.78,-1.62,;12.45,-2.39,;24.45,6.08,;23.12,6.85,;25.79,6.85,;25.79,8.39,;24.45,9.16,;24.45,10.7,;23.12,11.47,;23.12,13.01,;21.78,13.78,;27.12,9.16,;27.12,10.7,;28.45,8.39,)|
Show InChI InChI=1S/C96H139N27O24S3/c1-52(126)77-92(144)117-67(43-55-25-10-5-11-26-55)84(136)118-70(48-124)87(139)119-71(49-125)88(140)120-72(90(142)112-64(94(146)147)30-15-17-36-98)50-149-150-51-73(121-91(143)74-33-20-39-123(74)93(145)63(34-40-148-2)111-79(131)61(31-18-37-105-95(101)102)108-78(130)58(99)45-76(128)129)89(141)110-62(32-19-38-106-96(103)104)80(132)116-69(46-75(100)127)86(138)114-65(41-53-21-6-3-7-22-53)82(134)113-66(42-54-23-8-4-9-24-54)83(135)115-68(44-56-47-107-59-28-13-12-27-57(56)59)85(137)109-60(81(133)122-77)29-14-16-35-97/h3-13,21-28,47,52,58,60-74,77,107,124-126H,14-20,29-46,48-51,97-99H2,1-2H3,(H2,100,127)(H,108,130)(H,109,137)(H,110,141)(H,111,131)(H,112,142)(H,113,134)(H,114,138)(H,115,135)(H,116,132)(H,117,144)(H,118,136)(H,119,139)(H,120,140)(H,121,143)(H,122,133)(H,128,129)(H,146,147)(H4,101,102,105)(H4,103,104,106)/t52-,58+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,77+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50063821
PNG
(CHEMBL414254 | H-DNal-cyclo[Cys-Tyr-DTrp-Lys-Val-D...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C(C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30?,38-,40-,41-,42+,43-,44+,45+,46+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM85246
PNG
(CST17 | Cortistatin | Cortistatin-17 | L-Asp-L-Arg...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O |wU:67.141,135.143,56.57,71.73,50.51,44.45,94.98,105.110,141.147,116.122,124.130,8.15,19.19,wD:80.82,40.144,35.35,31.32,4.4,(40.86,-1.58,;39.4,-1.1,;38.25,-2.13,;36.79,-1.65,;35.64,-2.68,;35.97,-4.19,;37.43,-4.67,;38.57,-3.64,;37.75,-6.17,;36.61,-7.2,;36.93,-8.71,;35.78,-9.74,;36.1,-11.25,;34.96,-12.28,;35.28,-13.78,;33.49,-11.8,;39.21,-6.65,;39.53,-8.16,;38.39,-9.19,;41,-8.63,;42.14,-7.6,;41.32,-10.14,;42.78,-10.61,;43.1,-12.12,;43.93,-9.58,;34.18,-2.21,;33.04,-3.24,;33.86,-.7,;34.89,.44,;34.12,1.78,;32.61,1.46,;32.45,-.08,;31.12,-.85,;31.12,-2.39,;29.79,-.08,;28.45,-.85,;27.12,-.08,;27.12,1.46,;25.79,2.23,;25.79,3.77,;24.45,4.54,;23.12,3.77,;23.12,2.23,;24.45,1.46,;21.78,1.46,;20.45,2.23,;20.45,3.77,;21.78,-.08,;20.45,-.85,;20.45,-2.39,;19.12,-.08,;19.12,1.46,;17.78,2.23,;17.78,-.85,;17.78,-2.39,;19.12,-3.16,;16.45,-3.16,;15.12,-2.39,;15.12,-.85,;16.45,-.08,;16.45,1.46,;15.12,2.23,;13.78,1.46,;13.78,-.08,;16.45,-4.7,;15.12,-5.47,;13.78,-6.24,;13.78,-4.7,;12.45,-5.47,;11.11,-4.7,;11.11,-3.16,;9.78,-5.47,;8.33,-4.94,;6.89,-5.47,;5.71,-4.48,;4.26,-5,;3.08,-4.01,;9.78,-7.01,;11.11,-7.78,;11.11,-9.32,;12.45,-7.01,;11.92,-5.56,;10.4,-5.29,;9.3,-6.36,;7.95,-5.64,;8.21,-4.13,;7.26,-2.92,;7.83,-1.49,;9.36,-1.27,;10.31,-2.49,;9.74,-3.92,;13.78,-7.78,;15.12,-7.01,;16.45,-6.24,;16.45,-7.78,;16.45,-9.32,;15.12,-10.09,;13.78,-9.32,;12.45,-10.09,;12.45,-11.63,;13.78,-12.4,;15.12,-11.63,;17.78,-7.01,;19.12,-7.78,;19.12,-9.32,;20.45,-7.01,;21.78,-7.78,;21.78,-9.32,;20.45,-10.09,;20.45,-11.63,;21.78,-12.4,;23.12,-11.63,;23.12,-10.09,;20.45,-5.47,;21.78,-4.7,;21.78,-3.16,;23.12,-5.47,;23.12,-7.01,;24.45,-7.78,;24.45,-9.32,;25.97,-8.04,;24.45,-4.7,;25.79,-5.47,;26.77,-6.65,;27.12,-4.7,;28.45,-5.47,;28.45,-7.01,;29.79,-7.78,;29.79,-9.32,;31.12,-10.09,;31.12,-11.63,;32.45,-9.32,;27.12,-3.16,;28.45,-2.39,;29.79,-3.16,;13.78,-3.16,;13.78,-1.62,;12.45,-2.39,;24.45,6.08,;23.12,6.85,;25.79,6.85,;25.79,8.39,;24.45,9.16,;24.45,10.7,;23.12,11.47,;23.12,13.01,;21.78,13.78,;27.12,9.16,;27.12,10.7,;28.45,8.39,)|
Show InChI InChI=1S/C96H139N27O24S3/c1-52(126)77-92(144)117-67(43-55-25-10-5-11-26-55)84(136)118-70(48-124)87(139)119-71(49-125)88(140)120-72(90(142)112-64(94(146)147)30-15-17-36-98)50-149-150-51-73(121-91(143)74-33-20-39-123(74)93(145)63(34-40-148-2)111-79(131)61(31-18-37-105-95(101)102)108-78(130)58(99)45-76(128)129)89(141)110-62(32-19-38-106-96(103)104)80(132)116-69(46-75(100)127)86(138)114-65(41-53-21-6-3-7-22-53)82(134)113-66(42-54-23-8-4-9-24-54)83(135)115-68(44-56-47-107-59-28-13-12-27-57(56)59)85(137)109-60(81(133)122-77)29-14-16-35-97/h3-13,21-28,47,52,58,60-74,77,107,124-126H,14-20,29-46,48-51,97-99H2,1-2H3,(H2,100,127)(H,108,130)(H,109,137)(H,110,141)(H,111,131)(H,112,142)(H,113,134)(H,114,138)(H,115,135)(H,116,132)(H,117,144)(H,118,136)(H,119,139)(H,120,140)(H,121,143)(H,122,133)(H,128,129)(H,146,147)(H4,101,102,105)(H4,103,104,106)/t52-,58+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,77+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM85246
PNG
(CST17 | Cortistatin | Cortistatin-17 | L-Asp-L-Arg...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O |wU:67.141,135.143,56.57,71.73,50.51,44.45,94.98,105.110,141.147,116.122,124.130,8.15,19.19,wD:80.82,40.144,35.35,31.32,4.4,(40.86,-1.58,;39.4,-1.1,;38.25,-2.13,;36.79,-1.65,;35.64,-2.68,;35.97,-4.19,;37.43,-4.67,;38.57,-3.64,;37.75,-6.17,;36.61,-7.2,;36.93,-8.71,;35.78,-9.74,;36.1,-11.25,;34.96,-12.28,;35.28,-13.78,;33.49,-11.8,;39.21,-6.65,;39.53,-8.16,;38.39,-9.19,;41,-8.63,;42.14,-7.6,;41.32,-10.14,;42.78,-10.61,;43.1,-12.12,;43.93,-9.58,;34.18,-2.21,;33.04,-3.24,;33.86,-.7,;34.89,.44,;34.12,1.78,;32.61,1.46,;32.45,-.08,;31.12,-.85,;31.12,-2.39,;29.79,-.08,;28.45,-.85,;27.12,-.08,;27.12,1.46,;25.79,2.23,;25.79,3.77,;24.45,4.54,;23.12,3.77,;23.12,2.23,;24.45,1.46,;21.78,1.46,;20.45,2.23,;20.45,3.77,;21.78,-.08,;20.45,-.85,;20.45,-2.39,;19.12,-.08,;19.12,1.46,;17.78,2.23,;17.78,-.85,;17.78,-2.39,;19.12,-3.16,;16.45,-3.16,;15.12,-2.39,;15.12,-.85,;16.45,-.08,;16.45,1.46,;15.12,2.23,;13.78,1.46,;13.78,-.08,;16.45,-4.7,;15.12,-5.47,;13.78,-6.24,;13.78,-4.7,;12.45,-5.47,;11.11,-4.7,;11.11,-3.16,;9.78,-5.47,;8.33,-4.94,;6.89,-5.47,;5.71,-4.48,;4.26,-5,;3.08,-4.01,;9.78,-7.01,;11.11,-7.78,;11.11,-9.32,;12.45,-7.01,;11.92,-5.56,;10.4,-5.29,;9.3,-6.36,;7.95,-5.64,;8.21,-4.13,;7.26,-2.92,;7.83,-1.49,;9.36,-1.27,;10.31,-2.49,;9.74,-3.92,;13.78,-7.78,;15.12,-7.01,;16.45,-6.24,;16.45,-7.78,;16.45,-9.32,;15.12,-10.09,;13.78,-9.32,;12.45,-10.09,;12.45,-11.63,;13.78,-12.4,;15.12,-11.63,;17.78,-7.01,;19.12,-7.78,;19.12,-9.32,;20.45,-7.01,;21.78,-7.78,;21.78,-9.32,;20.45,-10.09,;20.45,-11.63,;21.78,-12.4,;23.12,-11.63,;23.12,-10.09,;20.45,-5.47,;21.78,-4.7,;21.78,-3.16,;23.12,-5.47,;23.12,-7.01,;24.45,-7.78,;24.45,-9.32,;25.97,-8.04,;24.45,-4.7,;25.79,-5.47,;26.77,-6.65,;27.12,-4.7,;28.45,-5.47,;28.45,-7.01,;29.79,-7.78,;29.79,-9.32,;31.12,-10.09,;31.12,-11.63,;32.45,-9.32,;27.12,-3.16,;28.45,-2.39,;29.79,-3.16,;13.78,-3.16,;13.78,-1.62,;12.45,-2.39,;24.45,6.08,;23.12,6.85,;25.79,6.85,;25.79,8.39,;24.45,9.16,;24.45,10.7,;23.12,11.47,;23.12,13.01,;21.78,13.78,;27.12,9.16,;27.12,10.7,;28.45,8.39,)|
Show InChI InChI=1S/C96H139N27O24S3/c1-52(126)77-92(144)117-67(43-55-25-10-5-11-26-55)84(136)118-70(48-124)87(139)119-71(49-125)88(140)120-72(90(142)112-64(94(146)147)30-15-17-36-98)50-149-150-51-73(121-91(143)74-33-20-39-123(74)93(145)63(34-40-148-2)111-79(131)61(31-18-37-105-95(101)102)108-78(130)58(99)45-76(128)129)89(141)110-62(32-19-38-106-96(103)104)80(132)116-69(46-75(100)127)86(138)114-65(41-53-21-6-3-7-22-53)82(134)113-66(42-54-23-8-4-9-24-54)83(135)115-68(44-56-47-107-59-28-13-12-27-57(56)59)85(137)109-60(81(133)122-77)29-14-16-35-97/h3-13,21-28,47,52,58,60-74,77,107,124-126H,14-20,29-46,48-51,97-99H2,1-2H3,(H2,100,127)(H,108,130)(H,109,137)(H,110,141)(H,111,131)(H,112,142)(H,113,134)(H,114,138)(H,115,135)(H,116,132)(H,117,144)(H,118,136)(H,119,139)(H,120,140)(H,121,143)(H,122,133)(H,128,129)(H,146,147)(H4,101,102,105)(H4,103,104,106)/t52-,58+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,77+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50063821
PNG
(CHEMBL414254 | H-DNal-cyclo[Cys-Tyr-DTrp-Lys-Val-D...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C(C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30?,38-,40-,41-,42+,43-,44+,45+,46+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM85246
PNG
(CST17 | Cortistatin | Cortistatin-17 | L-Asp-L-Arg...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O |wU:67.141,135.143,56.57,71.73,50.51,44.45,94.98,105.110,141.147,116.122,124.130,8.15,19.19,wD:80.82,40.144,35.35,31.32,4.4,(40.86,-1.58,;39.4,-1.1,;38.25,-2.13,;36.79,-1.65,;35.64,-2.68,;35.97,-4.19,;37.43,-4.67,;38.57,-3.64,;37.75,-6.17,;36.61,-7.2,;36.93,-8.71,;35.78,-9.74,;36.1,-11.25,;34.96,-12.28,;35.28,-13.78,;33.49,-11.8,;39.21,-6.65,;39.53,-8.16,;38.39,-9.19,;41,-8.63,;42.14,-7.6,;41.32,-10.14,;42.78,-10.61,;43.1,-12.12,;43.93,-9.58,;34.18,-2.21,;33.04,-3.24,;33.86,-.7,;34.89,.44,;34.12,1.78,;32.61,1.46,;32.45,-.08,;31.12,-.85,;31.12,-2.39,;29.79,-.08,;28.45,-.85,;27.12,-.08,;27.12,1.46,;25.79,2.23,;25.79,3.77,;24.45,4.54,;23.12,3.77,;23.12,2.23,;24.45,1.46,;21.78,1.46,;20.45,2.23,;20.45,3.77,;21.78,-.08,;20.45,-.85,;20.45,-2.39,;19.12,-.08,;19.12,1.46,;17.78,2.23,;17.78,-.85,;17.78,-2.39,;19.12,-3.16,;16.45,-3.16,;15.12,-2.39,;15.12,-.85,;16.45,-.08,;16.45,1.46,;15.12,2.23,;13.78,1.46,;13.78,-.08,;16.45,-4.7,;15.12,-5.47,;13.78,-6.24,;13.78,-4.7,;12.45,-5.47,;11.11,-4.7,;11.11,-3.16,;9.78,-5.47,;8.33,-4.94,;6.89,-5.47,;5.71,-4.48,;4.26,-5,;3.08,-4.01,;9.78,-7.01,;11.11,-7.78,;11.11,-9.32,;12.45,-7.01,;11.92,-5.56,;10.4,-5.29,;9.3,-6.36,;7.95,-5.64,;8.21,-4.13,;7.26,-2.92,;7.83,-1.49,;9.36,-1.27,;10.31,-2.49,;9.74,-3.92,;13.78,-7.78,;15.12,-7.01,;16.45,-6.24,;16.45,-7.78,;16.45,-9.32,;15.12,-10.09,;13.78,-9.32,;12.45,-10.09,;12.45,-11.63,;13.78,-12.4,;15.12,-11.63,;17.78,-7.01,;19.12,-7.78,;19.12,-9.32,;20.45,-7.01,;21.78,-7.78,;21.78,-9.32,;20.45,-10.09,;20.45,-11.63,;21.78,-12.4,;23.12,-11.63,;23.12,-10.09,;20.45,-5.47,;21.78,-4.7,;21.78,-3.16,;23.12,-5.47,;23.12,-7.01,;24.45,-7.78,;24.45,-9.32,;25.97,-8.04,;24.45,-4.7,;25.79,-5.47,;26.77,-6.65,;27.12,-4.7,;28.45,-5.47,;28.45,-7.01,;29.79,-7.78,;29.79,-9.32,;31.12,-10.09,;31.12,-11.63,;32.45,-9.32,;27.12,-3.16,;28.45,-2.39,;29.79,-3.16,;13.78,-3.16,;13.78,-1.62,;12.45,-2.39,;24.45,6.08,;23.12,6.85,;25.79,6.85,;25.79,8.39,;24.45,9.16,;24.45,10.7,;23.12,11.47,;23.12,13.01,;21.78,13.78,;27.12,9.16,;27.12,10.7,;28.45,8.39,)|
Show InChI InChI=1S/C96H139N27O24S3/c1-52(126)77-92(144)117-67(43-55-25-10-5-11-26-55)84(136)118-70(48-124)87(139)119-71(49-125)88(140)120-72(90(142)112-64(94(146)147)30-15-17-36-98)50-149-150-51-73(121-91(143)74-33-20-39-123(74)93(145)63(34-40-148-2)111-79(131)61(31-18-37-105-95(101)102)108-78(130)58(99)45-76(128)129)89(141)110-62(32-19-38-106-96(103)104)80(132)116-69(46-75(100)127)86(138)114-65(41-53-21-6-3-7-22-53)82(134)113-66(42-54-23-8-4-9-24-54)83(135)115-68(44-56-47-107-59-28-13-12-27-57(56)59)85(137)109-60(81(133)122-77)29-14-16-35-97/h3-13,21-28,47,52,58,60-74,77,107,124-126H,14-20,29-46,48-51,97-99H2,1-2H3,(H2,100,127)(H,108,130)(H,109,137)(H,110,141)(H,111,131)(H,112,142)(H,113,134)(H,114,138)(H,115,135)(H,116,132)(H,117,144)(H,118,136)(H,119,139)(H,120,140)(H,121,143)(H,122,133)(H,128,129)(H,146,147)(H4,101,102,105)(H4,103,104,106)/t52-,58+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,77+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50136767
PNG
(2-[4-(5,7-Difluoro-2-phenyl-1H-indol-3-yl)-butyryl...)
Show SMILES COC(=O)C(CCCNC(N)=N)NC(=O)CCCc1c([nH]c2c(F)cc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C25H29F2N5O3/c1-35-24(34)20(10-6-12-30-25(28)29)31-21(33)11-5-9-17-18-13-16(26)14-19(27)23(18)32-22(17)15-7-3-2-4-8-15/h2-4,7-8,13-14,20,32H,5-6,9-12H2,1H3,(H,31,33)(H4,28,29,30)
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0.700n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM82464
PNG
(CAS_71306 | NSC_71306 | RC 160 | Vapreotide)
Show SMILES CC(C)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)
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0.700n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM85519
PNG
(L-797,591 | L-797591)
Show SMILES CC(CCN)CC(C)(C)CNC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)N(CCc1ccccc1)CCc1ccccn1
Show InChI InChI=1S/C38H49N5O2/c1-29(19-22-39)27-38(2,3)28-41-36(44)35(26-32-16-11-15-31-14-7-8-18-34(31)32)42-37(45)43(24-20-30-12-5-4-6-13-30)25-21-33-17-9-10-23-40-33/h4-18,23,29,35H,19-22,24-28,39H2,1-3H3,(H,41,44)(H,42,45)/t29?,35-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50051568
PNG
((3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C44H56N8O7/c1-26(2)38-43(58)50-37(23-28-12-6-5-7-13-28)44(59)52(4)27(3)39(54)48-35(22-29-17-19-31(53)20-18-29)41(56)49-36(24-30-25-46-33-15-9-8-14-32(30)33)42(57)47-34(40(55)51-38)16-10-11-21-45/h5-9,12-15,17-20,25-27,34-38,46,53H,10-11,16,21-24,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,58)(H,51,55)/t27-,34-,35-,36+,37-,38-/m0/s1
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2n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM85080
PNG
(CH-275 | CH275 | L-Cys(1)-L-Lys-L-Phe-L-Phe-D-Trp-...)
Show SMILES CC(C)NCc1ccc(C[C@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C(Cc3ccccc3)NC(=O)C(Cc3ccccc3)NC(=O)C(CCCCN)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC(=O)C(NC2=O)C(C)O)C(C)O)C(O)=O)cc1
Show InChI InChI=1S/C74H96N14O15S2/c1-42(2)77-37-49-29-27-48(28-30-49)35-57-69(97)87-62(43(3)90)72(100)84-58(34-47-22-12-7-13-23-47)70(98)88-63(44(4)91)73(101)85-60(39-89)71(99)86-61(74(102)103)41-105-104-40-52(76)64(92)79-54(26-16-17-31-75)65(93)80-55(32-45-18-8-5-9-19-45)66(94)81-56(33-46-20-10-6-11-21-46)67(95)83-59(68(96)82-57)36-50-38-78-53-25-15-14-24-51(50)53/h5-15,18-25,27-30,38,42-44,52,54-63,77-78,89-91H,16-17,26,31-37,39-41,75-76H2,1-4H3,(H,79,92)(H,80,93)(H,81,94)(H,82,96)(H,83,95)(H,84,100)(H,85,101)(H,86,99)(H,87,97)(H,88,98)(H,102,103)/t43?,44?,52-,54?,55?,56?,57-,58-,59+,60-,61-,62?,63+/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50232821
PNG
((S)-((S)-2-aminopropyl) 6-amino-2-(2-(2-(naphthale...)
Show SMILES C[C@H](N)COC(=O)[C@H](CCCCN)NC(=O)Cc1c([nH]c2c1ccc1ccccc21)-c1ccc2ccccc2c1
Show InChI InChI=1S/C33H36N4O3/c1-21(35)20-40-33(39)29(12-6-7-17-34)36-30(38)19-28-27-16-15-23-9-4-5-11-26(23)32(27)37-31(28)25-14-13-22-8-2-3-10-24(22)18-25/h2-5,8-11,13-16,18,21,29,37H,6-7,12,17,19-20,34-35H2,1H3,(H,36,38)/t21-,29-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM85080
PNG
(CH-275 | CH275 | L-Cys(1)-L-Lys-L-Phe-L-Phe-D-Trp-...)
Show SMILES CC(C)NCc1ccc(C[C@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C(Cc3ccccc3)NC(=O)C(Cc3ccccc3)NC(=O)C(CCCCN)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC(=O)C(NC2=O)C(C)O)C(C)O)C(O)=O)cc1
Show InChI InChI=1S/C74H96N14O15S2/c1-42(2)77-37-49-29-27-48(28-30-49)35-57-69(97)87-62(43(3)90)72(100)84-58(34-47-22-12-7-13-23-47)70(98)88-63(44(4)91)73(101)85-60(39-89)71(99)86-61(74(102)103)41-105-104-40-52(76)64(92)79-54(26-16-17-31-75)65(93)80-55(32-45-18-8-5-9-19-45)66(94)81-56(33-46-20-10-6-11-21-46)67(95)83-59(68(96)82-57)36-50-38-78-53-25-15-14-24-51(50)53/h5-15,18-25,27-30,38,42-44,52,54-63,77-78,89-91H,16-17,26,31-37,39-41,75-76H2,1-4H3,(H,79,92)(H,80,93)(H,81,94)(H,82,96)(H,83,95)(H,84,100)(H,85,101)(H,86,99)(H,87,97)(H,88,98)(H,102,103)/t43?,44?,52-,54?,55?,56?,57-,58-,59+,60-,61-,62?,63+/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50059090
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES CC(O)[C@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@H](C(C)O)C(=O)N1
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28?,29?,34?,36-,37-,38-,39+,40?,41+,42-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM82464
PNG
(CAS_71306 | NSC_71306 | RC 160 | Vapreotide)
Show SMILES CC(C)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)
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5.40n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50059090
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES CC(O)[C@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@H](C(C)O)C(=O)N1
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28?,29?,34?,36-,37-,38-,39+,40?,41+,42-/m1/s1
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5.60n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM85246
PNG
(CST17 | Cortistatin | Cortistatin-17 | L-Asp-L-Arg...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O |wU:67.141,135.143,56.57,71.73,50.51,44.45,94.98,105.110,141.147,116.122,124.130,8.15,19.19,wD:80.82,40.144,35.35,31.32,4.4,(40.86,-1.58,;39.4,-1.1,;38.25,-2.13,;36.79,-1.65,;35.64,-2.68,;35.97,-4.19,;37.43,-4.67,;38.57,-3.64,;37.75,-6.17,;36.61,-7.2,;36.93,-8.71,;35.78,-9.74,;36.1,-11.25,;34.96,-12.28,;35.28,-13.78,;33.49,-11.8,;39.21,-6.65,;39.53,-8.16,;38.39,-9.19,;41,-8.63,;42.14,-7.6,;41.32,-10.14,;42.78,-10.61,;43.1,-12.12,;43.93,-9.58,;34.18,-2.21,;33.04,-3.24,;33.86,-.7,;34.89,.44,;34.12,1.78,;32.61,1.46,;32.45,-.08,;31.12,-.85,;31.12,-2.39,;29.79,-.08,;28.45,-.85,;27.12,-.08,;27.12,1.46,;25.79,2.23,;25.79,3.77,;24.45,4.54,;23.12,3.77,;23.12,2.23,;24.45,1.46,;21.78,1.46,;20.45,2.23,;20.45,3.77,;21.78,-.08,;20.45,-.85,;20.45,-2.39,;19.12,-.08,;19.12,1.46,;17.78,2.23,;17.78,-.85,;17.78,-2.39,;19.12,-3.16,;16.45,-3.16,;15.12,-2.39,;15.12,-.85,;16.45,-.08,;16.45,1.46,;15.12,2.23,;13.78,1.46,;13.78,-.08,;16.45,-4.7,;15.12,-5.47,;13.78,-6.24,;13.78,-4.7,;12.45,-5.47,;11.11,-4.7,;11.11,-3.16,;9.78,-5.47,;8.33,-4.94,;6.89,-5.47,;5.71,-4.48,;4.26,-5,;3.08,-4.01,;9.78,-7.01,;11.11,-7.78,;11.11,-9.32,;12.45,-7.01,;11.92,-5.56,;10.4,-5.29,;9.3,-6.36,;7.95,-5.64,;8.21,-4.13,;7.26,-2.92,;7.83,-1.49,;9.36,-1.27,;10.31,-2.49,;9.74,-3.92,;13.78,-7.78,;15.12,-7.01,;16.45,-6.24,;16.45,-7.78,;16.45,-9.32,;15.12,-10.09,;13.78,-9.32,;12.45,-10.09,;12.45,-11.63,;13.78,-12.4,;15.12,-11.63,;17.78,-7.01,;19.12,-7.78,;19.12,-9.32,;20.45,-7.01,;21.78,-7.78,;21.78,-9.32,;20.45,-10.09,;20.45,-11.63,;21.78,-12.4,;23.12,-11.63,;23.12,-10.09,;20.45,-5.47,;21.78,-4.7,;21.78,-3.16,;23.12,-5.47,;23.12,-7.01,;24.45,-7.78,;24.45,-9.32,;25.97,-8.04,;24.45,-4.7,;25.79,-5.47,;26.77,-6.65,;27.12,-4.7,;28.45,-5.47,;28.45,-7.01,;29.79,-7.78,;29.79,-9.32,;31.12,-10.09,;31.12,-11.63,;32.45,-9.32,;27.12,-3.16,;28.45,-2.39,;29.79,-3.16,;13.78,-3.16,;13.78,-1.62,;12.45,-2.39,;24.45,6.08,;23.12,6.85,;25.79,6.85,;25.79,8.39,;24.45,9.16,;24.45,10.7,;23.12,11.47,;23.12,13.01,;21.78,13.78,;27.12,9.16,;27.12,10.7,;28.45,8.39,)|
Show InChI InChI=1S/C96H139N27O24S3/c1-52(126)77-92(144)117-67(43-55-25-10-5-11-26-55)84(136)118-70(48-124)87(139)119-71(49-125)88(140)120-72(90(142)112-64(94(146)147)30-15-17-36-98)50-149-150-51-73(121-91(143)74-33-20-39-123(74)93(145)63(34-40-148-2)111-79(131)61(31-18-37-105-95(101)102)108-78(130)58(99)45-76(128)129)89(141)110-62(32-19-38-106-96(103)104)80(132)116-69(46-75(100)127)86(138)114-65(41-53-21-6-3-7-22-53)82(134)113-66(42-54-23-8-4-9-24-54)83(135)115-68(44-56-47-107-59-28-13-12-27-57(56)59)85(137)109-60(81(133)122-77)29-14-16-35-97/h3-13,21-28,47,52,58,60-74,77,107,124-126H,14-20,29-46,48-51,97-99H2,1-2H3,(H2,100,127)(H,108,130)(H,109,137)(H,110,141)(H,111,131)(H,112,142)(H,113,134)(H,114,138)(H,115,135)(H,116,132)(H,117,144)(H,118,136)(H,119,139)(H,120,140)(H,121,143)(H,122,133)(H,128,129)(H,146,147)(H4,101,102,105)(H4,103,104,106)/t52-,58+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,77+/m1/s1
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7n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM85052
PNG
(BIM 23197 | BIM-23197)
Show InChI InChI=1S/C57H81N13O13S3/c1-3-41-51(75)65-48(57(81)67-49(35(2)72)50(59)74)34-85-84-33-47(66-55(79)46(30-36-11-5-4-6-12-36)68-86(82,83)28-26-70-23-21-69(22-24-70)25-27-71)56(80)63-44(29-37-16-18-39(73)19-17-37)53(77)64-45(31-38-32-60-42-14-8-7-13-40(38)42)54(78)62-43(52(76)61-41)15-9-10-20-58/h4-8,11-14,16-19,32,35,41,43-49,60,68,71-73H,3,9-10,15,20-31,33-34,58H2,1-2H3,(H2,59,74)(H,61,76)(H,62,78)(H,63,80)(H,64,77)(H,65,75)(H,66,79)(H,67,81)/t35-,41+,43+,44+,45-,46-,47+,48+,49+/m1/s1
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9.80n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50063839
PNG
(BIM 23268 | CHEMBL263606 | H-cyclo[DCys-Phe-Phe-DT...)
Show SMILES CC(O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C54H67N11O9S2/c1-32(66)46-54(74)63-43(27-35-19-9-4-10-20-35)52(72)64-45(47(57)67)31-76-75-30-38(56)48(68)60-41(25-33-15-5-2-6-16-33)50(70)61-42(26-34-17-7-3-8-18-34)51(71)62-44(28-36-29-58-39-22-12-11-21-37(36)39)53(73)59-40(49(69)65-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,58,66H,13-14,23-28,30-31,55-56H2,1H3,(H2,57,67)(H,59,73)(H,60,68)(H,61,70)(H,62,71)(H,63,74)(H,64,72)(H,65,69)/t32?,38-,40+,41-,42+,43+,44+,45-,46-/m1/s1
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15.1n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50063839
PNG
(BIM 23268 | CHEMBL263606 | H-cyclo[DCys-Phe-Phe-DT...)
Show SMILES CC(O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C54H67N11O9S2/c1-32(66)46-54(74)63-43(27-35-19-9-4-10-20-35)52(72)64-45(47(57)67)31-76-75-30-38(56)48(68)60-41(25-33-15-5-2-6-16-33)50(70)61-42(26-34-17-7-3-8-18-34)51(71)62-44(28-36-29-58-39-22-12-11-21-37(36)39)53(73)59-40(49(69)65-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,58,66H,13-14,23-28,30-31,55-56H2,1H3,(H2,57,67)(H,59,73)(H,60,68)(H,61,70)(H,62,71)(H,63,74)(H,64,72)(H,65,69)/t32?,38-,40+,41-,42+,43+,44+,45-,46-/m1/s1
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16.3n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50063839
PNG
(BIM 23268 | CHEMBL263606 | H-cyclo[DCys-Phe-Phe-DT...)
Show SMILES CC(O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C54H67N11O9S2/c1-32(66)46-54(74)63-43(27-35-19-9-4-10-20-35)52(72)64-45(47(57)67)31-76-75-30-38(56)48(68)60-41(25-33-15-5-2-6-16-33)50(70)61-42(26-34-17-7-3-8-18-34)51(71)62-44(28-36-29-58-39-22-12-11-21-37(36)39)53(73)59-40(49(69)65-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,58,66H,13-14,23-28,30-31,55-56H2,1H3,(H2,57,67)(H,59,73)(H,60,68)(H,61,70)(H,62,71)(H,63,74)(H,64,72)(H,65,69)/t32?,38-,40+,41-,42+,43+,44+,45-,46-/m1/s1
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18.4n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM85520
PNG
(CAS_5311373 | L-796,778 | NSC_5311373)
Show SMILES CCCCC(NC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CCCCN)C(=O)OC
Show InChI InChI=1S/C29H40N6O7/c1-3-4-12-23(26(36)32-24(28(38)42-2)13-8-9-18-30)33-29(39)34-25(19-20-10-6-5-7-11-20)27(37)31-21-14-16-22(17-15-21)35(40)41/h5-7,10-11,14-17,23-25H,3-4,8-9,12-13,18-19,30H2,1-2H3,(H,31,37)(H,32,36)(H2,33,34,39)
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24n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM85052
PNG
(BIM 23197 | BIM-23197)
Show InChI InChI=1S/C57H81N13O13S3/c1-3-41-51(75)65-48(57(81)67-49(35(2)72)50(59)74)34-85-84-33-47(66-55(79)46(30-36-11-5-4-6-12-36)68-86(82,83)28-26-70-23-21-69(22-24-70)25-27-71)56(80)63-44(29-37-16-18-39(73)19-17-37)53(77)64-45(31-38-32-60-42-14-8-7-13-40(38)42)54(78)62-43(52(76)61-41)15-9-10-20-58/h4-8,11-14,16-19,32,35,41,43-49,60,68,71-73H,3,9-10,15,20-31,33-34,58H2,1-2H3,(H2,59,74)(H,61,76)(H,62,78)(H,63,80)(H,64,77)(H,65,75)(H,66,79)(H,67,81)/t35-,41+,43+,44+,45-,46-,47+,48+,49+/m1/s1
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26.8n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50051568
PNG
((3S,6S,9S,12R,15S,18S)-9-(4-Amino-butyl)-3-benzyl-...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C44H56N8O7/c1-26(2)38-43(58)50-37(23-28-12-6-5-7-13-28)44(59)52(4)27(3)39(54)48-35(22-29-17-19-31(53)20-18-29)41(56)49-36(24-30-25-46-33-15-9-8-14-32(30)33)42(57)47-34(40(55)51-38)16-10-11-21-45/h5-9,12-15,17-20,25-27,34-38,46,53H,10-11,16,21-24,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,58)(H,51,55)/t27-,34-,35-,36+,37-,38-/m0/s1
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27n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM82464
PNG
(CAS_71306 | NSC_71306 | RC 160 | Vapreotide)
Show SMILES CC(C)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)
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31n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50063821
PNG
(CHEMBL414254 | H-DNal-cyclo[Cys-Tyr-DTrp-Lys-Val-D...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C(C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30?,38-,40-,41-,42+,43-,44+,45+,46+/m1/s1
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43n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM82464
PNG
(CAS_71306 | NSC_71306 | RC 160 | Vapreotide)
Show SMILES CC(C)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)
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45n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50232821
PNG
((S)-((S)-2-aminopropyl) 6-amino-2-(2-(2-(naphthale...)
Show SMILES C[C@H](N)COC(=O)[C@H](CCCCN)NC(=O)Cc1c([nH]c2c1ccc1ccccc21)-c1ccc2ccccc2c1
Show InChI InChI=1S/C33H36N4O3/c1-21(35)20-40-33(39)29(12-6-7-17-34)36-30(38)19-28-27-16-15-23-9-4-5-11-26(23)32(27)37-31(28)25-14-13-22-8-2-3-10-24(22)18-25/h2-5,8-11,13-16,18,21,29,37H,6-7,12,17,19-20,34-35H2,1H3,(H,36,38)/t21-,29-/m0/s1
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52n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50063839
PNG
(BIM 23268 | CHEMBL263606 | H-cyclo[DCys-Phe-Phe-DT...)
Show SMILES CC(O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C54H67N11O9S2/c1-32(66)46-54(74)63-43(27-35-19-9-4-10-20-35)52(72)64-45(47(57)67)31-76-75-30-38(56)48(68)60-41(25-33-15-5-2-6-16-33)50(70)61-42(26-34-17-7-3-8-18-34)51(71)62-44(28-36-29-58-39-22-12-11-21-37(36)39)53(73)59-40(49(69)65-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,58,66H,13-14,23-28,30-31,55-56H2,1H3,(H2,57,67)(H,59,73)(H,60,68)(H,61,70)(H,62,71)(H,63,74)(H,64,72)(H,65,69)/t32?,38-,40+,41-,42+,43+,44+,45-,46-/m1/s1
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61.6n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50232821
PNG
((S)-((S)-2-aminopropyl) 6-amino-2-(2-(2-(naphthale...)
Show SMILES C[C@H](N)COC(=O)[C@H](CCCCN)NC(=O)Cc1c([nH]c2c1ccc1ccccc21)-c1ccc2ccccc2c1
Show InChI InChI=1S/C33H36N4O3/c1-21(35)20-40-33(39)29(12-6-7-17-34)36-30(38)19-28-27-16-15-23-9-4-5-11-26(23)32(27)37-31(28)25-14-13-22-8-2-3-10-24(22)18-25/h2-5,8-11,13-16,18,21,29,37H,6-7,12,17,19-20,34-35H2,1H3,(H,36,38)/t21-,29-/m0/s1
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64n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50063821
PNG
(CHEMBL414254 | H-DNal-cyclo[Cys-Tyr-DTrp-Lys-Val-D...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](C(C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30?,38-,40-,41-,42+,43-,44+,45+,46+/m1/s1
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66n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50232821
PNG
((S)-((S)-2-aminopropyl) 6-amino-2-(2-(2-(naphthale...)
Show SMILES C[C@H](N)COC(=O)[C@H](CCCCN)NC(=O)Cc1c([nH]c2c1ccc1ccccc21)-c1ccc2ccccc2c1
Show InChI InChI=1S/C33H36N4O3/c1-21(35)20-40-33(39)29(12-6-7-17-34)36-30(38)19-28-27-16-15-23-9-4-5-11-26(23)32(27)37-31(28)25-14-13-22-8-2-3-10-24(22)18-25/h2-5,8-11,13-16,18,21,29,37H,6-7,12,17,19-20,34-35H2,1H3,(H,36,38)/t21-,29-/m0/s1
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82n/an/an/an/an/an/an/an/a



Royal Victoria Hospital

Curated by PDSP Ki Database




Front Neuroendocrinol 20: 157-98 (1999)


Article DOI: 10.1006/frne.1999.0183
BindingDB Entry DOI: 10.7270/Q2CR5RXQ
More data for this
Ligand-Target Pair
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