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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 3' and Ligand = 'BDBM50254239'   
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 3


(Homo sapiens (Human))
BDBM50254239
PNG
((4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-37...)
Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](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@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)NC1=O)[C@@H](C)O)[C@@H](C)O)C(O)=O |r,wU:42.43,28.31,13.12,4.4,66.67,86.87,106.108,115.116,194.201,172.177,149.152,134.136,124.126,120.224,wD:47.48,34.39,20.25,8.8,54.55,62.64,77.78,97.98,202.209,183.189,158.161,145.218,211.220,130.221,214.223,(-22.23,-7.83,;-23.64,-7.23,;-24.87,-8.16,;-26.29,-7.56,;-27.51,-8.49,;-28.93,-7.9,;-29.12,-6.37,;-27.9,-5.44,;-30.54,-5.78,;-31.77,-6.71,;-30.73,-4.25,;-32.15,-3.66,;-33.4,-4.59,;-32.34,-2.13,;-31.06,-1.26,;-31.8,.25,;-33.45,.03,;-33.78,-1.63,;-35.09,-2.39,;-35.19,-3.93,;-36.39,-1.55,;-37.77,-2.23,;-37.83,-3.76,;-39.2,-4.44,;-36.56,-4.61,;-36.28,-.01,;-37.58,.85,;-38.94,.16,;-37.46,2.37,;-36.09,3.05,;-34.83,2.21,;-38.75,3.22,;-38.65,4.76,;-37.27,5.45,;-39.93,5.6,;-41.31,4.92,;-41.42,3.4,;-40.12,2.54,;-42.8,2.71,;-39.84,7.14,;-41.12,8,;-42.5,7.31,;-41.02,9.53,;-39.65,10.21,;-42.31,10.39,;-42.21,11.93,;-40.83,12.61,;-43.49,12.76,;-43.38,14.3,;-44.87,12.08,;-44.96,10.56,;-27.32,-10.02,;-28.56,-10.95,;-25.9,-10.61,;-25.71,-12.14,;-26.93,-13.07,;-24.29,-12.75,;-23.09,-11.81,;-24.1,-14.26,;-25.25,-15.51,;-24.43,-16.97,;-22.76,-16.63,;-22.84,-15.08,;-21.53,-14.32,;-21.53,-12.78,;-20.18,-15.08,;-18.84,-14.32,;-18.84,-12.78,;-17.53,-12.02,;-17.53,-10.47,;-16.2,-9.71,;-16.2,-8.17,;-17.52,-7.41,;-14.86,-7.41,;-17.53,-15.08,;-17.53,-16.63,;-16.18,-14.32,;-14.85,-15.09,;-14.85,-16.63,;-13.54,-17.39,;-13.54,-18.94,;-14.87,-19.72,;-12.18,-19.71,;-13.54,-14.32,;-13.54,-12.78,;-12.19,-15.09,;-10.86,-14.33,;-10.86,-12.79,;-9.51,-12.02,;-9.51,-10.48,;-8.18,-9.72,;-8.18,-8.18,;-9.52,-7.42,;-6.84,-7.41,;-9.51,-15.11,;-9.51,-16.63,;-8.2,-14.33,;-6.85,-15.11,;-6.85,-16.64,;-5.52,-17.42,;-5.52,-18.94,;-4.2,-19.72,;-4.2,-21.27,;-5.52,-14.33,;-5.52,-12.79,;-4.19,-15.11,;-2.85,-14.33,;-2.85,-12.81,;-1.53,-15.11,;-1.53,-16.64,;-.2,-14.34,;1.14,-15.12,;2.46,-14.34,;2.46,-12.82,;3.81,-15.12,;5.13,-14.34,;5.14,-3.92,;6.49,-3.13,;50.46,-3.19,;50.41,-14.4,;49.07,-15.18,;47.74,-14.4,;46.4,-15.18,;46.4,-16.7,;45.07,-14.39,;45.07,-12.87,;46.4,-12.09,;43.75,-15.17,;42.41,-14.39,;42.41,-12.87,;41.08,-15.17,;39.75,-14.39,;38.42,-15.15,;38.42,-16.7,;37.09,-14.39,;37.09,-12.85,;38.42,-12.08,;39.76,-12.87,;41.08,-12.09,;41.09,-10.55,;39.76,-9.78,;38.42,-10.54,;35.75,-15.15,;34.42,-14.38,;34.42,-12.84,;33.1,-15.15,;31.76,-14.38,;30.44,-15.14,;30.44,-16.69,;29.09,-14.38,;29.09,-12.84,;30.44,-12.08,;30.44,-10.54,;31.76,-9.77,;31.76,-8.23,;27.77,-15.14,;26.44,-14.38,;26.44,-12.84,;25.1,-15.14,;25.1,-16.68,;26.44,-17.45,;27.84,-16.82,;28.87,-17.98,;28.09,-19.3,;28.57,-20.76,;27.53,-21.91,;26.03,-21.59,;25.57,-20.12,;26.59,-18.98,;23.78,-14.38,;22.44,-15.14,;22.44,-16.68,;21.11,-14.37,;21.11,-12.83,;22.44,-12.07,;23.78,-12.83,;25.1,-12.07,;25.1,-10.53,;23.78,-9.77,;22.44,-10.53,;19.79,-15.13,;18.44,-14.37,;18.44,-12.83,;17.12,-15.13,;17.12,-16.68,;18.44,-17.44,;19.76,-16.68,;21.1,-17.45,;21.09,-18.99,;19.75,-19.75,;18.44,-18.98,;15.78,-14.37,;14.45,-15.13,;14.45,-16.67,;13.11,-14.37,;13.11,-12.83,;14.45,-12.04,;15.78,-12.83,;14.45,-10.52,;11.79,-15.13,;10.46,-14.36,;10.46,-12.82,;9.12,-15.12,;9.12,-16.67,;10.46,-17.43,;10.46,-18.98,;11.78,-19.74,;11.78,-21.28,;7.79,-14.36,;6.47,-15.12,;6.47,-16.67,;33.1,-16.69,;31.76,-17.46,;34.42,-17.45,;41.08,-16.7,;39.75,-17.48,;42.41,-17.48,;49.07,-16.71,;47.74,-17.49,;50.41,-17.49,)|
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
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
0.310n/an/an/an/an/an/an/an/a



Sandoz Pharma Ltd

Curated by PDSP Ki Database




Metab Clin Exp 45: 17-20 (1996)


Article DOI: 10.1016/s0026-0495(96)90072-4
BindingDB Entry DOI: 10.7270/Q2WQ02B7
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50254239
PNG
((4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-37...)
Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](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@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)NC1=O)[C@@H](C)O)[C@@H](C)O)C(O)=O |r,wU:42.43,28.31,13.12,4.4,66.67,86.87,106.108,115.116,194.201,172.177,149.152,134.136,124.126,120.224,wD:47.48,34.39,20.25,8.8,54.55,62.64,77.78,97.98,202.209,183.189,158.161,145.218,211.220,130.221,214.223,(-22.23,-7.83,;-23.64,-7.23,;-24.87,-8.16,;-26.29,-7.56,;-27.51,-8.49,;-28.93,-7.9,;-29.12,-6.37,;-27.9,-5.44,;-30.54,-5.78,;-31.77,-6.71,;-30.73,-4.25,;-32.15,-3.66,;-33.4,-4.59,;-32.34,-2.13,;-31.06,-1.26,;-31.8,.25,;-33.45,.03,;-33.78,-1.63,;-35.09,-2.39,;-35.19,-3.93,;-36.39,-1.55,;-37.77,-2.23,;-37.83,-3.76,;-39.2,-4.44,;-36.56,-4.61,;-36.28,-.01,;-37.58,.85,;-38.94,.16,;-37.46,2.37,;-36.09,3.05,;-34.83,2.21,;-38.75,3.22,;-38.65,4.76,;-37.27,5.45,;-39.93,5.6,;-41.31,4.92,;-41.42,3.4,;-40.12,2.54,;-42.8,2.71,;-39.84,7.14,;-41.12,8,;-42.5,7.31,;-41.02,9.53,;-39.65,10.21,;-42.31,10.39,;-42.21,11.93,;-40.83,12.61,;-43.49,12.76,;-43.38,14.3,;-44.87,12.08,;-44.96,10.56,;-27.32,-10.02,;-28.56,-10.95,;-25.9,-10.61,;-25.71,-12.14,;-26.93,-13.07,;-24.29,-12.75,;-23.09,-11.81,;-24.1,-14.26,;-25.25,-15.51,;-24.43,-16.97,;-22.76,-16.63,;-22.84,-15.08,;-21.53,-14.32,;-21.53,-12.78,;-20.18,-15.08,;-18.84,-14.32,;-18.84,-12.78,;-17.53,-12.02,;-17.53,-10.47,;-16.2,-9.71,;-16.2,-8.17,;-17.52,-7.41,;-14.86,-7.41,;-17.53,-15.08,;-17.53,-16.63,;-16.18,-14.32,;-14.85,-15.09,;-14.85,-16.63,;-13.54,-17.39,;-13.54,-18.94,;-14.87,-19.72,;-12.18,-19.71,;-13.54,-14.32,;-13.54,-12.78,;-12.19,-15.09,;-10.86,-14.33,;-10.86,-12.79,;-9.51,-12.02,;-9.51,-10.48,;-8.18,-9.72,;-8.18,-8.18,;-9.52,-7.42,;-6.84,-7.41,;-9.51,-15.11,;-9.51,-16.63,;-8.2,-14.33,;-6.85,-15.11,;-6.85,-16.64,;-5.52,-17.42,;-5.52,-18.94,;-4.2,-19.72,;-4.2,-21.27,;-5.52,-14.33,;-5.52,-12.79,;-4.19,-15.11,;-2.85,-14.33,;-2.85,-12.81,;-1.53,-15.11,;-1.53,-16.64,;-.2,-14.34,;1.14,-15.12,;2.46,-14.34,;2.46,-12.82,;3.81,-15.12,;5.13,-14.34,;5.14,-3.92,;6.49,-3.13,;50.46,-3.19,;50.41,-14.4,;49.07,-15.18,;47.74,-14.4,;46.4,-15.18,;46.4,-16.7,;45.07,-14.39,;45.07,-12.87,;46.4,-12.09,;43.75,-15.17,;42.41,-14.39,;42.41,-12.87,;41.08,-15.17,;39.75,-14.39,;38.42,-15.15,;38.42,-16.7,;37.09,-14.39,;37.09,-12.85,;38.42,-12.08,;39.76,-12.87,;41.08,-12.09,;41.09,-10.55,;39.76,-9.78,;38.42,-10.54,;35.75,-15.15,;34.42,-14.38,;34.42,-12.84,;33.1,-15.15,;31.76,-14.38,;30.44,-15.14,;30.44,-16.69,;29.09,-14.38,;29.09,-12.84,;30.44,-12.08,;30.44,-10.54,;31.76,-9.77,;31.76,-8.23,;27.77,-15.14,;26.44,-14.38,;26.44,-12.84,;25.1,-15.14,;25.1,-16.68,;26.44,-17.45,;27.84,-16.82,;28.87,-17.98,;28.09,-19.3,;28.57,-20.76,;27.53,-21.91,;26.03,-21.59,;25.57,-20.12,;26.59,-18.98,;23.78,-14.38,;22.44,-15.14,;22.44,-16.68,;21.11,-14.37,;21.11,-12.83,;22.44,-12.07,;23.78,-12.83,;25.1,-12.07,;25.1,-10.53,;23.78,-9.77,;22.44,-10.53,;19.79,-15.13,;18.44,-14.37,;18.44,-12.83,;17.12,-15.13,;17.12,-16.68,;18.44,-17.44,;19.76,-16.68,;21.1,-17.45,;21.09,-18.99,;19.75,-19.75,;18.44,-18.98,;15.78,-14.37,;14.45,-15.13,;14.45,-16.67,;13.11,-14.37,;13.11,-12.83,;14.45,-12.04,;15.78,-12.83,;14.45,-10.52,;11.79,-15.13,;10.46,-14.36,;10.46,-12.82,;9.12,-15.12,;9.12,-16.67,;10.46,-17.43,;10.46,-18.98,;11.78,-19.74,;11.78,-21.28,;7.79,-14.36,;6.47,-15.12,;6.47,-16.67,;33.1,-16.69,;31.76,-17.46,;34.42,-17.45,;41.08,-16.7,;39.75,-17.48,;42.41,-17.48,;49.07,-16.71,;47.74,-17.49,;50.41,-17.49,)|
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
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Endocr Rev 16: 427-42 (1995)


Article DOI: 10.1210/edrv-16-4-427
BindingDB Entry DOI: 10.7270/Q24B2ZTD
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50254239
PNG
((4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-37...)
Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](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@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)NC1=O)[C@@H](C)O)[C@@H](C)O)C(O)=O |r,wU:42.43,28.31,13.12,4.4,66.67,86.87,106.108,115.116,194.201,172.177,149.152,134.136,124.126,120.224,wD:47.48,34.39,20.25,8.8,54.55,62.64,77.78,97.98,202.209,183.189,158.161,145.218,211.220,130.221,214.223,(-22.23,-7.83,;-23.64,-7.23,;-24.87,-8.16,;-26.29,-7.56,;-27.51,-8.49,;-28.93,-7.9,;-29.12,-6.37,;-27.9,-5.44,;-30.54,-5.78,;-31.77,-6.71,;-30.73,-4.25,;-32.15,-3.66,;-33.4,-4.59,;-32.34,-2.13,;-31.06,-1.26,;-31.8,.25,;-33.45,.03,;-33.78,-1.63,;-35.09,-2.39,;-35.19,-3.93,;-36.39,-1.55,;-37.77,-2.23,;-37.83,-3.76,;-39.2,-4.44,;-36.56,-4.61,;-36.28,-.01,;-37.58,.85,;-38.94,.16,;-37.46,2.37,;-36.09,3.05,;-34.83,2.21,;-38.75,3.22,;-38.65,4.76,;-37.27,5.45,;-39.93,5.6,;-41.31,4.92,;-41.42,3.4,;-40.12,2.54,;-42.8,2.71,;-39.84,7.14,;-41.12,8,;-42.5,7.31,;-41.02,9.53,;-39.65,10.21,;-42.31,10.39,;-42.21,11.93,;-40.83,12.61,;-43.49,12.76,;-43.38,14.3,;-44.87,12.08,;-44.96,10.56,;-27.32,-10.02,;-28.56,-10.95,;-25.9,-10.61,;-25.71,-12.14,;-26.93,-13.07,;-24.29,-12.75,;-23.09,-11.81,;-24.1,-14.26,;-25.25,-15.51,;-24.43,-16.97,;-22.76,-16.63,;-22.84,-15.08,;-21.53,-14.32,;-21.53,-12.78,;-20.18,-15.08,;-18.84,-14.32,;-18.84,-12.78,;-17.53,-12.02,;-17.53,-10.47,;-16.2,-9.71,;-16.2,-8.17,;-17.52,-7.41,;-14.86,-7.41,;-17.53,-15.08,;-17.53,-16.63,;-16.18,-14.32,;-14.85,-15.09,;-14.85,-16.63,;-13.54,-17.39,;-13.54,-18.94,;-14.87,-19.72,;-12.18,-19.71,;-13.54,-14.32,;-13.54,-12.78,;-12.19,-15.09,;-10.86,-14.33,;-10.86,-12.79,;-9.51,-12.02,;-9.51,-10.48,;-8.18,-9.72,;-8.18,-8.18,;-9.52,-7.42,;-6.84,-7.41,;-9.51,-15.11,;-9.51,-16.63,;-8.2,-14.33,;-6.85,-15.11,;-6.85,-16.64,;-5.52,-17.42,;-5.52,-18.94,;-4.2,-19.72,;-4.2,-21.27,;-5.52,-14.33,;-5.52,-12.79,;-4.19,-15.11,;-2.85,-14.33,;-2.85,-12.81,;-1.53,-15.11,;-1.53,-16.64,;-.2,-14.34,;1.14,-15.12,;2.46,-14.34,;2.46,-12.82,;3.81,-15.12,;5.13,-14.34,;5.14,-3.92,;6.49,-3.13,;50.46,-3.19,;50.41,-14.4,;49.07,-15.18,;47.74,-14.4,;46.4,-15.18,;46.4,-16.7,;45.07,-14.39,;45.07,-12.87,;46.4,-12.09,;43.75,-15.17,;42.41,-14.39,;42.41,-12.87,;41.08,-15.17,;39.75,-14.39,;38.42,-15.15,;38.42,-16.7,;37.09,-14.39,;37.09,-12.85,;38.42,-12.08,;39.76,-12.87,;41.08,-12.09,;41.09,-10.55,;39.76,-9.78,;38.42,-10.54,;35.75,-15.15,;34.42,-14.38,;34.42,-12.84,;33.1,-15.15,;31.76,-14.38,;30.44,-15.14,;30.44,-16.69,;29.09,-14.38,;29.09,-12.84,;30.44,-12.08,;30.44,-10.54,;31.76,-9.77,;31.76,-8.23,;27.77,-15.14,;26.44,-14.38,;26.44,-12.84,;25.1,-15.14,;25.1,-16.68,;26.44,-17.45,;27.84,-16.82,;28.87,-17.98,;28.09,-19.3,;28.57,-20.76,;27.53,-21.91,;26.03,-21.59,;25.57,-20.12,;26.59,-18.98,;23.78,-14.38,;22.44,-15.14,;22.44,-16.68,;21.11,-14.37,;21.11,-12.83,;22.44,-12.07,;23.78,-12.83,;25.1,-12.07,;25.1,-10.53,;23.78,-9.77,;22.44,-10.53,;19.79,-15.13,;18.44,-14.37,;18.44,-12.83,;17.12,-15.13,;17.12,-16.68,;18.44,-17.44,;19.76,-16.68,;21.1,-17.45,;21.09,-18.99,;19.75,-19.75,;18.44,-18.98,;15.78,-14.37,;14.45,-15.13,;14.45,-16.67,;13.11,-14.37,;13.11,-12.83,;14.45,-12.04,;15.78,-12.83,;14.45,-10.52,;11.79,-15.13,;10.46,-14.36,;10.46,-12.82,;9.12,-15.12,;9.12,-16.67,;10.46,-17.43,;10.46,-18.98,;11.78,-19.74,;11.78,-21.28,;7.79,-14.36,;6.47,-15.12,;6.47,-16.67,;33.1,-16.69,;31.76,-17.46,;34.42,-17.45,;41.08,-16.7,;39.75,-17.48,;42.41,-17.48,;49.07,-16.71,;47.74,-17.49,;50.41,-17.49,)|
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
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
6.10n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Endocrinology 135: 2814-7 (1994)


Article DOI: 10.1210/endo.135.6.7988476
BindingDB Entry DOI: 10.7270/Q2959G27
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50254239
PNG
((4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-37...)
Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](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@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)NC1=O)[C@@H](C)O)[C@@H](C)O)C(O)=O |r,wU:42.43,28.31,13.12,4.4,66.67,86.87,106.108,115.116,194.201,172.177,149.152,134.136,124.126,120.224,wD:47.48,34.39,20.25,8.8,54.55,62.64,77.78,97.98,202.209,183.189,158.161,145.218,211.220,130.221,214.223,(-22.23,-7.83,;-23.64,-7.23,;-24.87,-8.16,;-26.29,-7.56,;-27.51,-8.49,;-28.93,-7.9,;-29.12,-6.37,;-27.9,-5.44,;-30.54,-5.78,;-31.77,-6.71,;-30.73,-4.25,;-32.15,-3.66,;-33.4,-4.59,;-32.34,-2.13,;-31.06,-1.26,;-31.8,.25,;-33.45,.03,;-33.78,-1.63,;-35.09,-2.39,;-35.19,-3.93,;-36.39,-1.55,;-37.77,-2.23,;-37.83,-3.76,;-39.2,-4.44,;-36.56,-4.61,;-36.28,-.01,;-37.58,.85,;-38.94,.16,;-37.46,2.37,;-36.09,3.05,;-34.83,2.21,;-38.75,3.22,;-38.65,4.76,;-37.27,5.45,;-39.93,5.6,;-41.31,4.92,;-41.42,3.4,;-40.12,2.54,;-42.8,2.71,;-39.84,7.14,;-41.12,8,;-42.5,7.31,;-41.02,9.53,;-39.65,10.21,;-42.31,10.39,;-42.21,11.93,;-40.83,12.61,;-43.49,12.76,;-43.38,14.3,;-44.87,12.08,;-44.96,10.56,;-27.32,-10.02,;-28.56,-10.95,;-25.9,-10.61,;-25.71,-12.14,;-26.93,-13.07,;-24.29,-12.75,;-23.09,-11.81,;-24.1,-14.26,;-25.25,-15.51,;-24.43,-16.97,;-22.76,-16.63,;-22.84,-15.08,;-21.53,-14.32,;-21.53,-12.78,;-20.18,-15.08,;-18.84,-14.32,;-18.84,-12.78,;-17.53,-12.02,;-17.53,-10.47,;-16.2,-9.71,;-16.2,-8.17,;-17.52,-7.41,;-14.86,-7.41,;-17.53,-15.08,;-17.53,-16.63,;-16.18,-14.32,;-14.85,-15.09,;-14.85,-16.63,;-13.54,-17.39,;-13.54,-18.94,;-14.87,-19.72,;-12.18,-19.71,;-13.54,-14.32,;-13.54,-12.78,;-12.19,-15.09,;-10.86,-14.33,;-10.86,-12.79,;-9.51,-12.02,;-9.51,-10.48,;-8.18,-9.72,;-8.18,-8.18,;-9.52,-7.42,;-6.84,-7.41,;-9.51,-15.11,;-9.51,-16.63,;-8.2,-14.33,;-6.85,-15.11,;-6.85,-16.64,;-5.52,-17.42,;-5.52,-18.94,;-4.2,-19.72,;-4.2,-21.27,;-5.52,-14.33,;-5.52,-12.79,;-4.19,-15.11,;-2.85,-14.33,;-2.85,-12.81,;-1.53,-15.11,;-1.53,-16.64,;-.2,-14.34,;1.14,-15.12,;2.46,-14.34,;2.46,-12.82,;3.81,-15.12,;5.13,-14.34,;5.14,-3.92,;6.49,-3.13,;50.46,-3.19,;50.41,-14.4,;49.07,-15.18,;47.74,-14.4,;46.4,-15.18,;46.4,-16.7,;45.07,-14.39,;45.07,-12.87,;46.4,-12.09,;43.75,-15.17,;42.41,-14.39,;42.41,-12.87,;41.08,-15.17,;39.75,-14.39,;38.42,-15.15,;38.42,-16.7,;37.09,-14.39,;37.09,-12.85,;38.42,-12.08,;39.76,-12.87,;41.08,-12.09,;41.09,-10.55,;39.76,-9.78,;38.42,-10.54,;35.75,-15.15,;34.42,-14.38,;34.42,-12.84,;33.1,-15.15,;31.76,-14.38,;30.44,-15.14,;30.44,-16.69,;29.09,-14.38,;29.09,-12.84,;30.44,-12.08,;30.44,-10.54,;31.76,-9.77,;31.76,-8.23,;27.77,-15.14,;26.44,-14.38,;26.44,-12.84,;25.1,-15.14,;25.1,-16.68,;26.44,-17.45,;27.84,-16.82,;28.87,-17.98,;28.09,-19.3,;28.57,-20.76,;27.53,-21.91,;26.03,-21.59,;25.57,-20.12,;26.59,-18.98,;23.78,-14.38,;22.44,-15.14,;22.44,-16.68,;21.11,-14.37,;21.11,-12.83,;22.44,-12.07,;23.78,-12.83,;25.1,-12.07,;25.1,-10.53,;23.78,-9.77,;22.44,-10.53,;19.79,-15.13,;18.44,-14.37,;18.44,-12.83,;17.12,-15.13,;17.12,-16.68,;18.44,-17.44,;19.76,-16.68,;21.1,-17.45,;21.09,-18.99,;19.75,-19.75,;18.44,-18.98,;15.78,-14.37,;14.45,-15.13,;14.45,-16.67,;13.11,-14.37,;13.11,-12.83,;14.45,-12.04,;15.78,-12.83,;14.45,-10.52,;11.79,-15.13,;10.46,-14.36,;10.46,-12.82,;9.12,-15.12,;9.12,-16.67,;10.46,-17.43,;10.46,-18.98,;11.78,-19.74,;11.78,-21.28,;7.79,-14.36,;6.47,-15.12,;6.47,-16.67,;33.1,-16.69,;31.76,-17.46,;34.42,-17.45,;41.08,-16.7,;39.75,-17.48,;42.41,-17.48,;49.07,-16.71,;47.74,-17.49,;50.41,-17.49,)|
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
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
7.94n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




FEBS Lett 321: 279-84 (1993)


Article DOI: 10.1016/0014-5793(93)80124-d
BindingDB Entry DOI: 10.7270/Q2PR7THQ
More data for this
Ligand-Target Pair