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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'petersen' and Initial = 'js'   
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106479
PNG
(CHEMBL384755 | FGGFTGARKSARK | H-FGGFTGARKSARK-NH2...)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
PDB

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0.200n/an/an/an/an/an/an/an/a



Louisiana State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 652-60 (2005)


Article DOI: 10.1124/jpet.105.083436
BindingDB Entry DOI: 10.7270/Q2H41Q0Q
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM86695
PNG
(Ac-RYYRWKKKKKKK-NH2 | ZP120)
Show SMILES CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)[N+](=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O |r,wU:50.51,4.3,91.94,27.27,73.76,109.112,wD:100.109,82.85,64.67,39.40,15.14,118.121,(-12.32,.46,;-10.99,1.23,;-10.99,2.77,;-9.65,.46,;-8.36,1.24,;-8.36,2.78,;-9.69,3.55,;-9.69,5.09,;-11.02,5.86,;-11.02,7.4,;-12.36,8.17,;-9.69,8.17,;-7.02,.47,;-7.02,-1.07,;-5.69,1.24,;-4.35,.47,;-4.35,-1.07,;-3.02,-1.84,;-3.02,-3.38,;-1.68,-4.15,;-.35,-3.38,;.98,-4.15,;-.35,-1.84,;-1.68,-1.07,;-3.01,1.24,;-3.01,2.78,;-1.68,.47,;-.36,1.26,;-.36,2.8,;.73,3.89,;.73,5.43,;2.07,6.2,;3.4,5.43,;4.73,6.2,;3.4,3.89,;2.07,3.12,;.98,.49,;.98,-1.05,;2.32,1.26,;3.65,.49,;3.65,-1.05,;4.99,-1.82,;4.99,-3.36,;6.32,-4.13,;6.32,-5.67,;7.65,-6.44,;5.23,-6.76,;4.99,1.26,;4.99,2.8,;6.32,.49,;7.65,1.26,;7.65,2.8,;8.99,3.57,;10.47,3.17,;11.31,4.46,;10.34,5.66,;10.58,7.18,;9.39,8.15,;7.95,7.6,;7.71,6.08,;8.91,5.11,;8.99,.49,;8.99,-1.05,;10.33,1.24,;11.66,.47,;11.66,-1.07,;13,-1.84,;13,-3.38,;14.33,-4.15,;14.33,-5.69,;13,1.24,;13,2.78,;14.33,.47,;15.66,1.25,;15.66,2.79,;16.99,3.56,;16.99,5.1,;18.32,5.87,;18.35,7.41,;16.99,.48,;16.99,-1.06,;18.34,1.23,;19.67,.46,;19.67,-1.08,;21,-1.85,;21,-3.39,;22.34,-4.16,;22.34,-5.7,;21.01,1.23,;21.01,2.77,;22.34,.46,;23.66,1.25,;23.66,2.79,;25,3.56,;25,5.1,;26.33,5.87,;26.35,7.4,;25,.48,;25,-1.06,;26.34,1.24,;27.68,.47,;27.68,-1.07,;29.01,-1.84,;29.01,-3.38,;30.34,-4.15,;30.34,-5.69,;29.01,1.24,;29.01,2.78,;30.34,.46,;31.67,1.25,;31.67,2.79,;33.01,3.56,;33.01,5.1,;34.34,5.87,;34.36,7.4,;33,.48,;33,-1.06,;34.34,1.24,;35.67,.47,;35.67,-1.07,;37,-1.84,;37,-3.38,;38.34,-4.15,;38.34,-5.69,;37.01,1.24,;38.34,.47,;37.01,2.78,)|
Show InChI InChI=1S/C84H140N28O15/c1-52(113)100-61(28-18-46-97-83(93)94)73(117)107-69(49-54-33-37-57(115)38-34-54)81(125)108-68(48-53-31-35-56(114)36-32-53)80(124)106-66(29-19-47-98-84(95)96)77(121)109-70(50-55-51-99-59-21-3-2-20-58(55)59)82(126)105-64(25-7-14-42-88)76(120)103-62(23-5-12-40-86)74(118)102-63(24-6-13-41-87)75(119)104-65(26-8-15-43-89)78(122)110-71(30-10-17-45-91)112(127)111-67(27-9-16-44-90)79(123)101-60(72(92)116)22-4-11-39-85/h2-3,20-21,31-38,51,60-71,99H,4-19,22-30,39-50,85-91H2,1H3,(H23-,92,93,94,95,96,97,98,100,101,102,103,104,105,106,107,108,109,110,111,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127)/p+1/t60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71+/m0/s1
PDB

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KEGG

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0.5n/an/an/an/an/an/an/an/a



Louisiana State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 652-60 (2005)


Article DOI: 10.1124/jpet.105.083436
BindingDB Entry DOI: 10.7270/Q2H41Q0Q
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50087746
PNG
(CHEMBL428139 | GLP-1(7-37) | Glucagon like peptide...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
Show InChI InChI=1S/C151H228N40O47/c1-17-77(10)121(148(236)169-81(14)127(215)177-105(60-87-63-160-92-36-25-24-35-90(87)92)138(226)179-101(56-74(4)5)139(227)188-119(75(6)7)146(234)176-94(37-26-28-52-152)130(218)161-65-111(199)170-93(39-30-54-159-151(156)157)129(217)164-68-118(210)211)190-140(228)103(57-84-31-20-18-21-32-84)180-135(223)99(47-51-116(206)207)175-134(222)95(38-27-29-53-153)172-125(213)79(12)166-124(212)78(11)168-133(221)98(44-48-110(155)198)171-112(200)66-162-132(220)97(46-50-115(204)205)174-136(224)100(55-73(2)3)178-137(225)102(59-86-40-42-89(197)43-41-86)181-143(231)107(69-192)184-145(233)109(71-194)185-147(235)120(76(8)9)189-142(230)106(62-117(208)209)182-144(232)108(70-193)186-150(238)123(83(16)196)191-141(229)104(58-85-33-22-19-23-34-85)183-149(237)122(82(15)195)187-113(201)67-163-131(219)96(45-49-114(202)203)173-126(214)80(13)167-128(216)91(154)61-88-64-158-72-165-88/h18-25,31-36,40-43,63-64,72-83,91,93-109,119-123,160,192-197H,17,26-30,37-39,44-62,65-71,152-154H2,1-16H3,(H2,155,198)(H,158,165)(H,161,218)(H,162,220)(H,163,219)(H,164,217)(H,166,212)(H,167,216)(H,168,221)(H,169,236)(H,170,199)(H,171,200)(H,172,213)(H,173,214)(H,174,224)(H,175,222)(H,176,234)(H,177,215)(H,178,225)(H,179,226)(H,180,223)(H,181,231)(H,182,232)(H,183,237)(H,184,233)(H,185,235)(H,186,238)(H,187,201)(H,188,227)(H,189,230)(H,190,228)(H,191,229)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,156,157,159)/t77-,78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,119-,120-,121-,122-,123-/m0/s1
PDB

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n/an/an/an/a 0.00800n/an/an/an/a



Novo Nordisk Als

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1 receptor expressed in BHK cells assessed as cAMP accumulation


Proc Natl Acad Sci USA 104: 937-42 (2007)


Article DOI: 10.1073/pnas.0605701104
BindingDB Entry DOI: 10.7270/Q21R6RD8
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50202222
PNG
(CHEMBL398714 | N-tert-butyl-6,7-dichloro-3-(methyl...)
Show SMILES CC(C)(C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O
Show InChI InChI=1S/C13H15Cl2N3O2S/c1-13(2,3)18-11-12(21(4,19)20)17-10-6-8(15)7(14)5-9(10)16-11/h5-6H,1-4H3,(H,16,18)
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n/an/an/an/a 101n/an/an/an/a



Novo Nordisk Als

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1 receptor expressed in BHK cells assessed as cAMP accumulation


Proc Natl Acad Sci USA 104: 937-42 (2007)


Article DOI: 10.1073/pnas.0605701104
BindingDB Entry DOI: 10.7270/Q21R6RD8
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50087746
PNG
(CHEMBL428139 | GLP-1(7-37) | Glucagon like peptide...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
Show InChI InChI=1S/C151H228N40O47/c1-17-77(10)121(148(236)169-81(14)127(215)177-105(60-87-63-160-92-36-25-24-35-90(87)92)138(226)179-101(56-74(4)5)139(227)188-119(75(6)7)146(234)176-94(37-26-28-52-152)130(218)161-65-111(199)170-93(39-30-54-159-151(156)157)129(217)164-68-118(210)211)190-140(228)103(57-84-31-20-18-21-32-84)180-135(223)99(47-51-116(206)207)175-134(222)95(38-27-29-53-153)172-125(213)79(12)166-124(212)78(11)168-133(221)98(44-48-110(155)198)171-112(200)66-162-132(220)97(46-50-115(204)205)174-136(224)100(55-73(2)3)178-137(225)102(59-86-40-42-89(197)43-41-86)181-143(231)107(69-192)184-145(233)109(71-194)185-147(235)120(76(8)9)189-142(230)106(62-117(208)209)182-144(232)108(70-193)186-150(238)123(83(16)196)191-141(229)104(58-85-33-22-19-23-34-85)183-149(237)122(82(15)195)187-113(201)67-163-131(219)96(45-49-114(202)203)173-126(214)80(13)167-128(216)91(154)61-88-64-158-72-165-88/h18-25,31-36,40-43,63-64,72-83,91,93-109,119-123,160,192-197H,17,26-30,37-39,44-62,65-71,152-154H2,1-16H3,(H2,155,198)(H,158,165)(H,161,218)(H,162,220)(H,163,219)(H,164,217)(H,166,212)(H,167,216)(H,168,221)(H,169,236)(H,170,199)(H,171,200)(H,172,213)(H,173,214)(H,174,224)(H,175,222)(H,176,234)(H,177,215)(H,178,225)(H,179,226)(H,180,223)(H,181,231)(H,182,232)(H,183,237)(H,184,233)(H,185,235)(H,186,238)(H,187,201)(H,188,227)(H,189,230)(H,190,228)(H,191,229)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,156,157,159)/t77-,78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,119-,120-,121-,122-,123-/m0/s1
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n/an/an/a 0.510n/an/an/an/an/a



Novo Nordisk Als

Curated by ChEMBL


Assay Description
Binding affinity to human GLP1 receptor expressed in BHK cells


Proc Natl Acad Sci USA 104: 937-42 (2007)


Article DOI: 10.1073/pnas.0605701104
BindingDB Entry DOI: 10.7270/Q21R6RD8
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Homo sapiens (Human))
BDBM50376464
PNG
(CHEMBL261639)
Show SMILES Cc1cnc(Sc2nc3cc(Cl)c(Cl)cc3nc2C(F)(F)F)s1
Show InChI InChI=1S/C13H6Cl2F3N3S2/c1-5-4-19-12(22-5)23-11-10(13(16,17)18)20-8-2-6(14)7(15)3-9(8)21-11/h2-4H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/an/an/a 1.40E+3n/an/an/an/a



Novo Nordisk Als

Curated by ChEMBL


Assay Description
Agonist activity at human GLP1 receptor expressed in BHK cells assessed as cAMP accumulation


Proc Natl Acad Sci USA 104: 937-42 (2007)


Article DOI: 10.1073/pnas.0605701104
BindingDB Entry DOI: 10.7270/Q21R6RD8
More data for this
Ligand-Target Pair