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PubMed code 21194956

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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))		BDBM50333670
PNG
((3R,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36R)-21-...)
Show SMILES C[C@@H](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](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSS[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N |r|
Show InChI InChI=1S/C75H102N18O19S2/c1-40(78)62(99)81-37-59(98)82-57-39-113-114-74(75(111)112)93-70(107)56(38-94)90-73(110)61(42(3)96)92-69(106)53(33-45-23-11-6-12-24-45)89-72(109)60(41(2)95)91-64(101)50(28-16-18-30-77)83-67(104)54(34-46-36-80-48-26-14-13-25-47(46)48)87-66(103)52(32-44-21-9-5-10-22-44)85-65(102)51(31-43-19-7-4-8-20-43)86-68(105)55(35-58(79)97)88-63(100)49(84-71(57)108)27-15-17-29-76/h4-14,19-26,36,40-42,49-57,60-61,74,80,94-96H,15-18,27-35,37-39,76-78H2,1-3H3,(H2,79,97)(H,81,99)(H,82,98)(H,83,104)(H,84,108)(H,85,102)(H,86,105)(H,87,103)(H,88,100)(H,89,109)(H,90,110)(H,91,101)(H,92,106)(H,93,107)(H,111,112)/t40-,41+,42+,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,74+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



The Weizmann Institute of Science

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr3]octreotide from sst2 receptor expressed in rat AR4-2J cells

Bioorg Med Chem 19: 798-806 (2011)


Article DOI: 10.1016/j.bmc.2010.12.014
BindingDB Entry DOI: 10.7270/Q2QC03R1
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50333671
PNG
(CHEMBL1643388)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(C)C |r,wU:225.227,208.215,138.139,75.120,83.84,95.96,44.44,35.35,27.27,19.19,122.123,157.158,195.203,185.190,232.236,wD:216.224,204.207,131.132,146.147,59.59,101.102,8.8,4.3,2.2,107.108,113.114,70.180,168.169,(18.37,-46.54,;18.39,-45,;17.06,-44.22,;15.73,-44.98,;17.07,-42.68,;16.28,-41.36,;14.74,-41.36,;13.95,-40.04,;13.97,-42.75,;14.76,-44.07,;13.99,-45.41,;14.78,-46.74,;14.02,-48.07,;14.8,-49.4,;14.05,-50.74,;16.34,-49.38,;12.44,-42.76,;11.66,-41.43,;12.42,-40.09,;10.12,-41.43,;9.36,-40.1,;10.11,-38.77,;11.65,-38.76,;9.34,-37.44,;9.36,-42.77,;7.82,-42.81,;7.08,-44.14,;7.03,-41.47,;6.26,-42.8,;4.72,-42.78,;3.93,-44.11,;4.69,-45.44,;5.49,-41.49,;4.73,-40.23,;5.48,-38.88,;3.21,-40.24,;3.6,-41.73,;2.51,-42.81,;2.89,-44.29,;1.81,-45.37,;2.19,-46.86,;2.44,-41.6,;.96,-41.6,;.19,-42.94,;.19,-40.28,;-.58,-41.61,;-2.12,-41.59,;-2.91,-42.92,;-4.45,-42.9,;-5.22,-44.23,;-6.75,-44.22,;-4.47,-45.57,;-1.35,-40.28,;-2.13,-38.94,;-3.67,-38.96,;-1.38,-37.58,;-2.17,-36.26,;-1.42,-34.92,;-2.21,-33.6,;.03,-34.88,;.78,-33.54,;-.02,-32.22,;.74,-30.87,;-.05,-29.56,;-1.6,-29.58,;-2.35,-30.93,;-1.54,-32.25,;.82,-36.21,;2.39,-36.19,;3.14,-34.85,;3.18,-37.53,;4.72,-37.53,;5.5,-36.18,;7.06,-36.18,;7.85,-34.82,;9.4,-34.82,;10.19,-36.18,;11.67,-36.11,;12.5,-37.4,;12.38,-34.74,;13.91,-34.74,;14.75,-36.06,;14,-37.41,;16.32,-36.07,;17.09,-37.39,;16.31,-38.73,;17.09,-40.06,;14.78,-38.73,;17.09,-34.7,;18.65,-34.71,;19.41,-33.37,;19.44,-36.06,;20.92,-35.99,;21.69,-37.32,;20.93,-38.66,;23.26,-37.31,;24.04,-38.62,;23.28,-39.96,;24.03,-35.97,;25.47,-35.97,;26.24,-34.64,;26.25,-37.29,;27.79,-37.28,;28.57,-38.61,;25.49,-38.63,;26.27,-39.96,;27.81,-39.95,;25.52,-41.34,;26.31,-42.65,;27.85,-42.62,;23.99,-41.37,;23.24,-42.72,;24.04,-44.04,;21.7,-42.76,;20.97,-44.11,;21.77,-45.42,;19.98,-41.05,;18.61,-42.67,;19.39,-43.99,;10.16,-33.48,;9.39,-32.15,;11.71,-33.48,;12.48,-32.13,;11.13,-31.35,;11.14,-29.78,;9.82,-29.01,;9.83,-27.44,;8.52,-26.67,;13.83,-31.36,;15.16,-32.14,;13.84,-29.82,;15.19,-29.05,;16.53,-29.83,;17.86,-29.08,;16.52,-31.4,;15.19,-27.51,;13.87,-26.74,;16.56,-26.74,;16.56,-25.2,;15.25,-24.43,;15.26,-22.87,;13.93,-22.1,;16.62,-22.09,;17.93,-24.44,;19.27,-25.22,;17.94,-22.9,;19.29,-22.13,;20.65,-22.92,;21.98,-22.17,;23.33,-22.96,;24.66,-22.2,;26.01,-22.99,;26,-24.56,;27.34,-22.24,;19.31,-20.6,;17.99,-19.83,;20.67,-19.82,;20.68,-18.3,;19.36,-17.52,;19.37,-15.96,;18.05,-15.19,;18.06,-13.62,;16.74,-12.84,;15.41,-13.6,;16.75,-11.3,;22.04,-17.52,;23.39,-18.32,;22.05,-15.99,;23.41,-15.22,;24.76,-16.01,;26.09,-15.26,;26.28,-13.73,;27.8,-13.43,;28.56,-14.78,;27.51,-15.92,;23.42,-13.69,;24.78,-12.91,;22.1,-12.92,;3.94,-36.18,;4.71,-34.83,;6.25,-34.83,;3.93,-33.49,;4.71,-32.15,;3.93,-30.82,;2.39,-30.82,;4.71,-29.48,;6.25,-29.49,;7.02,-28.15,;3.94,-28.15,;4.71,-26.81,;6.25,-26.81,;3.94,-25.48,;4.71,-24.14,;3.94,-22.81,;2.4,-22.81,;4.71,-21.47,;6.25,-21.47,;7.02,-22.81,;8.56,-22.81,;9.33,-21.48,;9.33,-24.15,;3.94,-20.13,;4.71,-18.79,;6.25,-18.8,;3.94,-17.46,;4.72,-16.12,;3.94,-14.79,;2.4,-14.79,;4.72,-13.44,;6.26,-13.44,;7.02,-14.78,;8.57,-14.79,;9.33,-16.12,;3.95,-12.11,;4.72,-10.78,;6.26,-10.78,;3.95,-9.44,;2.41,-9.44,;1.64,-10.77,;.09,-10.77,;-.68,-12.12,;-2.22,-12.12,;4.73,-8.09,;3.95,-6.78,;2.41,-6.75,;4.65,-5.4,;6.2,-5.39,;6.44,-3.74,;4.94,-2.99,;3.76,-4.19,;2.22,-4.07,;1.35,-5.33,;1.57,-2.67,;.03,-2.56,;2.43,-1.41,;3.96,-1.52,;2.4,-17.46,;1.63,-16.12,;1.63,-18.79,)|
Show InChI InChI=1S/C143H244N50O42S4/c1-13-76(10)112-137(232)189-99(68-199)131(226)188-98(67-198)130(225)187-97(66-197)129(224)186-96(65-196)117(212)166-59-105(202)169-90(52-72(2)3)114(209)163-61-107(204)171-100(132(227)177-83(32-19-22-44-146)124(219)190-111(75(8)9)136(231)184-91(53-73(4)5)127(222)175-84(34-24-46-159-141(151)152)121(216)174-85(35-25-47-160-142(153)154)122(217)185-94(139(234)235)55-78-57-157-71-167-78)69-238-239-70-101(172-108(205)62-165-116(211)95(64-195)170-106(203)60-162-113(208)87(38-39-103(148)200)181-135(230)110(74(6)7)191-126(221)89(41-51-237-12)179-120(215)82(31-18-21-43-145)180-134(229)102-37-27-49-193(102)138(233)79(147)63-194)133(228)182-92(54-77-28-15-14-16-29-77)115(210)164-58-104(201)168-80(33-23-45-158-140(149)150)118(213)173-81(30-17-20-42-144)119(214)178-88(40-50-236-11)123(218)183-93(56-109(206)207)128(223)176-86(125(220)192-112)36-26-48-161-143(155)156/h14-16,28-29,57,71-76,79-102,110-112,194-199H,13,17-27,30-56,58-70,144-147H2,1-12H3,(H2,148,200)(H,157,167)(H,162,208)(H,163,209)(H,164,210)(H,165,211)(H,166,212)(H,168,201)(H,169,202)(H,170,203)(H,171,204)(H,172,205)(H,173,213)(H,174,216)(H,175,222)(H,176,223)(H,177,227)(H,178,214)(H,179,215)(H,180,229)(H,181,230)(H,182,228)(H,183,218)(H,184,231)(H,185,217)(H,186,224)(H,187,225)(H,188,226)(H,189,232)(H,190,219)(H,191,221)(H,192,220)(H,206,207)(H,234,235)(H4,149,150,158)(H4,151,152,159)(H4,153,154,160)(H4,155,156,161)/t76-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,110-,111-,112-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



The Weizmann Institute of Science

Curated by ChEMBL


Assay Description
Displacement of [125I]ANP from NPR-A expressed in HeLa cells after 3 hrs by gamma counting

Bioorg Med Chem 19: 798-806 (2011)


Article DOI: 10.1016/j.bmc.2010.12.014
BindingDB Entry DOI: 10.7270/Q2QC03R1
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50333669
PNG
(CHEMBL1643384)
Show SMILES C[C@@H](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](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(NN=C(Cc3cnc[nH]3)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC1=O)[C@@H](C)O)cc2)NC(=O)CNC(=O)[C@H](C)N |r,w:76.79|
Show InChI InChI=1S/C84H110N22O17/c1-47(87)73(112)91-44-70(111)93-61-38-53-29-31-55(32-30-53)105-106-69(40-56-43-89-46-92-56)102-82(121)67(45-107)101-84(123)72(49(3)109)104-81(120)64(37-52-23-11-6-12-24-52)100-83(122)71(48(2)108)103-75(114)60(28-16-18-34-86)95-79(118)65(39-54-42-90-58-26-14-13-25-57(54)58)98-78(117)63(36-51-21-9-5-10-22-51)96-77(116)62(35-50-19-7-4-8-20-50)97-80(119)66(41-68(88)110)99-74(113)59(94-76(61)115)27-15-17-33-85/h4-14,19-26,29-32,42-43,46-49,59-67,71-72,90,105,107-109H,15-18,27-28,33-41,44-45,85-87H2,1-3H3,(H2,88,110)(H,89,92)(H,91,112)(H,93,111)(H,94,115)(H,95,118)(H,96,116)(H,97,119)(H,98,117)(H,99,113)(H,100,122)(H,101,123)(H,103,114)(H,104,120)(H,102,106,121)/t47-,48+,49+,59-,60-,61-,62-,63-,64-,65-,66-,67-,71-,72-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.10n/an/an/an/an/an/a



The Weizmann Institute of Science

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr3]octreotide from sst2 receptor expressed in rat AR4-2J cells

Bioorg Med Chem 19: 798-806 (2011)


Article DOI: 10.1016/j.bmc.2010.12.014
BindingDB Entry DOI: 10.7270/Q2QC03R1
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50333669
PNG
(CHEMBL1643384)
Show SMILES C[C@@H](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](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(NN=C(Cc3cnc[nH]3)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC1=O)[C@@H](C)O)cc2)NC(=O)CNC(=O)[C@H](C)N |r,w:76.79|
Show InChI InChI=1S/C84H110N22O17/c1-47(87)73(112)91-44-70(111)93-61-38-53-29-31-55(32-30-53)105-106-69(40-56-43-89-46-92-56)102-82(121)67(45-107)101-84(123)72(49(3)109)104-81(120)64(37-52-23-11-6-12-24-52)100-83(122)71(48(2)108)103-75(114)60(28-16-18-34-86)95-79(118)65(39-54-42-90-58-26-14-13-25-57(54)58)98-78(117)63(36-51-21-9-5-10-22-51)96-77(116)62(35-50-19-7-4-8-20-50)97-80(119)66(41-68(88)110)99-74(113)59(94-76(61)115)27-15-17-33-85/h4-14,19-26,29-32,42-43,46-49,59-67,71-72,90,105,107-109H,15-18,27-28,33-41,44-45,85-87H2,1-3H3,(H2,88,110)(H,89,92)(H,91,112)(H,93,111)(H,94,115)(H,95,118)(H,96,116)(H,97,119)(H,98,117)(H,99,113)(H,100,122)(H,101,123)(H,103,114)(H,104,120)(H,102,106,121)/t47-,48+,49+,59-,60-,61-,62-,63-,64-,65-,66-,67-,71-,72-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.10n/an/an/an/an/an/a



The Weizmann Institute of Science

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr3]octreotide from sst2 receptor expressed in rat AR4-2J cells

Bioorg Med Chem 19: 798-806 (2011)


Article DOI: 10.1016/j.bmc.2010.12.014
BindingDB Entry DOI: 10.7270/Q2QC03R1
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50333672
PNG
(CHEMBL1643389)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)c(c2)\N=N\c2ccc(C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O)cc2)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(C)C)[C@@H](C)CC |r,t:78|
Show InChI InChI=1S/C155H252N52O43S2/c1-13-83(10)124-149(247)201-112(77-213)145(243)200-111(76-212)144(242)199-110(75-211)143(241)198-109(74-210)129(227)178-69-117(217)181-101(58-79(2)3)126(224)175-68-118(218)182-104(140(238)187-93(32-19-22-50-158)136(234)202-123(82(8)9)148(246)196-102(59-80(4)5)139(237)188-94(34-24-52-171-153(163)164)133(231)186-95(35-25-53-172-154(165)166)134(232)197-107(151(249)250)64-88-66-169-78-179-88)61-85-38-41-87(42-39-85)205-206-100-62-86(40-44-114(100)214)63-105(183-119(219)70-177-128(226)108(73-209)184-120(220)71-174-125(223)97(43-45-115(160)215)193-147(245)122(81(6)7)203-138(236)99(47-57-252-12)191-132(230)92(31-18-21-49-157)192-146(244)113-37-27-55-207(113)150(248)89(159)72-208)141(239)194-103(60-84-28-15-14-16-29-84)127(225)176-67-116(216)180-90(33-23-51-170-152(161)162)130(228)185-91(30-17-20-48-156)131(229)190-98(46-56-251-11)135(233)195-106(65-121(221)222)142(240)189-96(137(235)204-124)36-26-54-173-155(167)168/h14-16,28-29,38-42,44,62,66,78-83,89-99,101-113,122-124,208-214H,13,17-27,30-37,43,45-61,63-65,67-77,156-159H2,1-12H3,(H2,160,215)(H,169,179)(H,174,223)(H,175,224)(H,176,225)(H,177,226)(H,178,227)(H,180,216)(H,181,217)(H,182,218)(H,183,219)(H,184,220)(H,185,228)(H,186,231)(H,187,238)(H,188,237)(H,189,240)(H,190,229)(H,191,230)(H,192,244)(H,193,245)(H,194,239)(H,195,233)(H,196,246)(H,197,232)(H,198,241)(H,199,242)(H,200,243)(H,201,247)(H,202,234)(H,203,236)(H,204,235)(H,221,222)(H,249,250)(H4,161,162,170)(H4,163,164,171)(H4,165,166,172)(H4,167,168,173)/t83-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,122-,123-,124-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



The Weizmann Institute of Science

Curated by ChEMBL


Assay Description
Displacement of [125I]ANP from NPR-A expressed in HeLa cells after 3 hrs by gamma counting

Bioorg Med Chem 19: 798-806 (2011)


Article DOI: 10.1016/j.bmc.2010.12.014
BindingDB Entry DOI: 10.7270/Q2QC03R1
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor 1


(Homo sapiens (Human))		BDBM50333673
PNG
(CHEMBL1643390)
Show SMILES [H][C@](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(C)C)([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H]1Cc2ccc(cc2)\N=N\c2nc[nH]c2C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC1=O)C(C)C)C(O)=O |r,t:191|
Show InChI InChI=1S/C150H250N52O43S2/c1-14-79(10)117(143(241)195-106(73-208)139(237)194-105(72-207)138(236)193-104(71-206)137(235)192-103(70-205)124(222)171-65-110(212)176-96(57-75(2)3)121(219)169-64-111(213)177-99-60-82-39-41-83(42-40-82)200-201-119-95(173-74-174-119)61-101(146(244)245)191-129(227)90(36-26-52-166-149(160)161)180-128(226)89(35-25-51-165-148(158)159)182-134(232)97(58-76(4)5)189-142(240)116(78(8)9)197-131(229)88(181-135(99)233)33-20-23-49-153)199-132(230)91(37-27-53-167-150(162)163)183-136(234)100(62-114(216)217)188-130(228)93(45-55-246-12)184-126(224)86(31-18-21-47-151)179-125(223)85(34-24-50-164-147(156)157)175-109(211)63-170-122(220)98(59-81-29-16-15-17-30-81)190-144(242)118(80(11)209)196-113(215)67-172-123(221)102(69-204)178-112(214)66-168-120(218)92(43-44-108(155)210)187-141(239)115(77(6)7)198-133(231)94(46-56-247-13)185-127(225)87(32-19-22-48-152)186-140(238)107-38-28-54-202(107)145(243)84(154)68-203/h15-17,29-30,39-42,74-80,84-94,96-107,115-118,203-209H,14,18-28,31-38,43-73,151-154H2,1-13H3,(H2,155,210)(H,168,218)(H,169,219)(H,170,220)(H,171,222)(H,172,221)(H,173,174)(H,175,211)(H,176,212)(H,177,213)(H,178,214)(H,179,223)(H,180,226)(H,181,233)(H,182,232)(H,183,234)(H,184,224)(H,185,225)(H,186,238)(H,187,239)(H,188,228)(H,189,240)(H,190,242)(H,191,227)(H,192,235)(H,193,236)(H,194,237)(H,195,241)(H,196,215)(H,197,229)(H,198,231)(H,199,230)(H,216,217)(H,244,245)(H4,156,157,164)(H4,158,159,165)(H4,160,161,166)(H4,162,163,167)/t79-,80+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,115-,116-,117-,118-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/an/an/an/an/an/a



The Weizmann Institute of Science

Curated by ChEMBL


Assay Description
Displacement of [125I]ANP from NPR-A expressed in HeLa cells after 3 hrs by gamma counting

Bioorg Med Chem 19: 798-806 (2011)


Article DOI: 10.1016/j.bmc.2010.12.014
BindingDB Entry DOI: 10.7270/Q2QC03R1
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50333668
PNG
(CHEMBL1643387)
Show SMILES C[C@@H](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](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(cc2)N=Nc2ccc(cc2O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N |r,w:77.81|
Show InChI InChI=1S/C87H110N20O20/c1-47(90)75(114)93-45-71(113)94-62-40-53-29-32-56(33-30-53)106-107-59-34-31-54(42-69(59)111)74(87(126)127)105-84(123)68(46-108)102-86(125)73(49(3)110)104-83(122)65(39-52-23-11-6-12-24-52)101-85(124)72(48(2)109)103-77(116)61(28-16-18-36-89)96-81(120)66(41-55-44-92-58-26-14-13-25-57(55)58)99-80(119)64(38-51-21-9-5-10-22-51)97-79(118)63(37-50-19-7-4-8-20-50)98-82(121)67(43-70(91)112)100-76(115)60(95-78(62)117)27-15-17-35-88/h4-14,19-26,29-34,42,44,47-49,60-68,72-74,92,108-111H,15-18,27-28,35-41,43,45-46,88-90H2,1-3H3,(H2,91,112)(H,93,114)(H,94,113)(H,95,117)(H,96,120)(H,97,118)(H,98,121)(H,99,119)(H,100,115)(H,101,124)(H,102,125)(H,103,116)(H,104,122)(H,105,123)(H,126,127)/t47-,48+,49+,60-,61-,62-,63-,64-,65-,66-,67-,68-,72-,73-,74-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>600n/an/an/an/an/an/a



The Weizmann Institute of Science

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr3]octreotide from sst2 receptor expressed in rat AR4-2J cells

Bioorg Med Chem 19: 798-806 (2011)


Article DOI: 10.1016/j.bmc.2010.12.014
BindingDB Entry DOI: 10.7270/Q2QC03R1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%