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BDBM50269976 Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Lys-Tyr::CHEMBL506126

SMILES: CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

InChI Key: InChIKey=PNJXWIJKATVXEY-FAQCDESUSA-N

Data: 2 IC50  1 Kd  4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50269976   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50269976
PNG
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Ly...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:81.81,25.25,62.61,8.12,97.97,wD:16.21,92.93,72.72,55.55,106.106,4.4,44.44,29.34,(16.82,-7.68,;15.49,-6.94,;15.46,-5.4,;14.12,-4.66,;14.1,-3.13,;12.8,-2.32,;11.44,-3.04,;11.45,-4.59,;10.17,-2.17,;10.17,-.63,;11.5,.14,;11.51,1.68,;12.83,-.63,;8.95,-3.07,;7.59,-2.35,;7.59,-.8,;6.31,-3.21,;6.31,-4.76,;7.65,-5.53,;7.65,-7.06,;6.32,-7.84,;8.98,-7.84,;5.11,-2.32,;3.74,-3.06,;3.75,-4.6,;2.46,-2.19,;1.25,-3.09,;-.11,-2.37,;-.1,-.82,;-1.38,-3.23,;-1.38,-4.77,;-.05,-5.55,;-.05,-7.08,;-1.38,-7.86,;1.29,-7.86,;-2.59,-2.34,;-3.95,-3.07,;-3.94,-4.61,;-5.22,-2.2,;-4.41,-.9,;-6.06,-3.48,;-6.53,-1.45,;-6.57,.09,;-5.22,.85,;-7.96,.78,;-7.96,2.28,;-9.35,2.94,;-10.59,2.02,;-9.36,4.47,;-7.82,4.49,;-10.89,4.45,;-9.38,6.01,;-9.3,.01,;-9.31,-1.52,;-10.63,.79,;2.46,-.65,;3.8,.13,;1.13,.13,;1.11,1.67,;15.29,-2.34,;15.3,-.79,;16.65,-3.07,;17.87,-2.18,;17.87,-.63,;19.2,.14,;20.67,-.35,;21.59,.88,;20.7,2.14,;19.22,1.68,;19.15,-3.04,;19.16,-4.59,;20.51,-2.32,;21.72,-3.21,;21.73,-4.75,;23.05,-5.53,;23.05,-7.06,;21.73,-7.83,;24.4,-7.83,;23,-2.34,;23.01,-.79,;24.37,-3.07,;25.59,-2.18,;25.59,-.64,;26.92,.14,;26.93,1.68,;28.25,2.44,;28.25,3.97,;29.58,4.74,;26.93,4.74,;26.86,-3.05,;26.87,-4.59,;28.22,-2.32,;29.43,-3.21,;29.43,-4.76,;30.71,-2.35,;30.72,-.8,;32.08,-3.08,;33.29,-2.19,;33.3,-.64,;34.63,.13,;34.63,1.67,;35.96,2.44,;35.96,3.98,;34.58,-3.05,;34.58,-4.6,;35.93,-2.31,;37.28,-3.05,;37.31,-4.58,;38.65,-5.32,;38.67,-6.85,;40.01,-7.59,;41.33,-6.8,;42.67,-7.53,;41.29,-5.26,;39.95,-4.53,;38.59,-2.26,;39.93,-2.99,;38.56,-.72,)|
Show InChI InChI=1S/C76H127N23O19/c1-13-15-19-46(90-68(113)53(34-39(3)4)94-66(111)50(27-30-56(79)102)92-70(115)59(41(7)14-2)97-67(112)51(28-31-57(103)104)96-73(118)76(11,12)99-71(116)58(40(5)6)98-72(117)75(9,10)83)64(109)95-54(36-44-37-84-38-86-44)69(114)91-49(26-29-55(78)101)65(110)89-48(21-18-33-85-74(81)82)62(107)87-42(8)61(106)88-47(20-16-17-32-77)63(108)93-52(60(80)105)35-43-22-24-45(100)25-23-43/h22-25,37-42,46-54,58-59,100H,13-21,26-36,77,83H2,1-12H3,(H2,78,101)(H2,79,102)(H2,80,105)(H,84,86)(H,87,107)(H,88,106)(H,89,110)(H,90,113)(H,91,114)(H,92,115)(H,93,108)(H,94,111)(H,95,109)(H,96,118)(H,97,112)(H,98,117)(H,99,116)(H,103,104)(H4,81,82,85)/t41-,42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58-,59-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 55.4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]DPC-AJ1951 from PTH/PTH-related peptide receptor (unknown origin) expressed in HKRK-B28 cells in presence of SW106


Proc Natl Acad Sci U S A 104: 6846-51 (2007)


Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V
More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50269976
PNG
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Ly...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:81.81,25.25,62.61,8.12,97.97,wD:16.21,92.93,72.72,55.55,106.106,4.4,44.44,29.34,(16.82,-7.68,;15.49,-6.94,;15.46,-5.4,;14.12,-4.66,;14.1,-3.13,;12.8,-2.32,;11.44,-3.04,;11.45,-4.59,;10.17,-2.17,;10.17,-.63,;11.5,.14,;11.51,1.68,;12.83,-.63,;8.95,-3.07,;7.59,-2.35,;7.59,-.8,;6.31,-3.21,;6.31,-4.76,;7.65,-5.53,;7.65,-7.06,;6.32,-7.84,;8.98,-7.84,;5.11,-2.32,;3.74,-3.06,;3.75,-4.6,;2.46,-2.19,;1.25,-3.09,;-.11,-2.37,;-.1,-.82,;-1.38,-3.23,;-1.38,-4.77,;-.05,-5.55,;-.05,-7.08,;-1.38,-7.86,;1.29,-7.86,;-2.59,-2.34,;-3.95,-3.07,;-3.94,-4.61,;-5.22,-2.2,;-4.41,-.9,;-6.06,-3.48,;-6.53,-1.45,;-6.57,.09,;-5.22,.85,;-7.96,.78,;-7.96,2.28,;-9.35,2.94,;-10.59,2.02,;-9.36,4.47,;-7.82,4.49,;-10.89,4.45,;-9.38,6.01,;-9.3,.01,;-9.31,-1.52,;-10.63,.79,;2.46,-.65,;3.8,.13,;1.13,.13,;1.11,1.67,;15.29,-2.34,;15.3,-.79,;16.65,-3.07,;17.87,-2.18,;17.87,-.63,;19.2,.14,;20.67,-.35,;21.59,.88,;20.7,2.14,;19.22,1.68,;19.15,-3.04,;19.16,-4.59,;20.51,-2.32,;21.72,-3.21,;21.73,-4.75,;23.05,-5.53,;23.05,-7.06,;21.73,-7.83,;24.4,-7.83,;23,-2.34,;23.01,-.79,;24.37,-3.07,;25.59,-2.18,;25.59,-.64,;26.92,.14,;26.93,1.68,;28.25,2.44,;28.25,3.97,;29.58,4.74,;26.93,4.74,;26.86,-3.05,;26.87,-4.59,;28.22,-2.32,;29.43,-3.21,;29.43,-4.76,;30.71,-2.35,;30.72,-.8,;32.08,-3.08,;33.29,-2.19,;33.3,-.64,;34.63,.13,;34.63,1.67,;35.96,2.44,;35.96,3.98,;34.58,-3.05,;34.58,-4.6,;35.93,-2.31,;37.28,-3.05,;37.31,-4.58,;38.65,-5.32,;38.67,-6.85,;40.01,-7.59,;41.33,-6.8,;42.67,-7.53,;41.29,-5.26,;39.95,-4.53,;38.59,-2.26,;39.93,-2.99,;38.56,-.72,)|
Show InChI InChI=1S/C76H127N23O19/c1-13-15-19-46(90-68(113)53(34-39(3)4)94-66(111)50(27-30-56(79)102)92-70(115)59(41(7)14-2)97-67(112)51(28-31-57(103)104)96-73(118)76(11,12)99-71(116)58(40(5)6)98-72(117)75(9,10)83)64(109)95-54(36-44-37-84-38-86-44)69(114)91-49(26-29-55(78)101)65(110)89-48(21-18-33-85-74(81)82)62(107)87-42(8)61(106)88-47(20-16-17-32-77)63(108)93-52(60(80)105)35-43-22-24-45(100)25-23-43/h22-25,37-42,46-54,58-59,100H,13-21,26-36,77,83H2,1-12H3,(H2,78,101)(H2,79,102)(H2,80,105)(H,84,86)(H,87,107)(H,88,106)(H,89,110)(H,90,113)(H,91,114)(H,92,115)(H,93,108)(H,94,111)(H,95,109)(H,96,118)(H,97,112)(H,98,117)(H,99,116)(H,103,104)(H4,81,82,85)/t41-,42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58-,59-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/a 21.6n/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to PTH/PTH-related peptide receptor (unknown origin) expressed in HKRK-B28 cells


Proc Natl Acad Sci U S A 104: 6846-51 (2007)


Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V
More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50269976
PNG
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Ly...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:81.81,25.25,62.61,8.12,97.97,wD:16.21,92.93,72.72,55.55,106.106,4.4,44.44,29.34,(16.82,-7.68,;15.49,-6.94,;15.46,-5.4,;14.12,-4.66,;14.1,-3.13,;12.8,-2.32,;11.44,-3.04,;11.45,-4.59,;10.17,-2.17,;10.17,-.63,;11.5,.14,;11.51,1.68,;12.83,-.63,;8.95,-3.07,;7.59,-2.35,;7.59,-.8,;6.31,-3.21,;6.31,-4.76,;7.65,-5.53,;7.65,-7.06,;6.32,-7.84,;8.98,-7.84,;5.11,-2.32,;3.74,-3.06,;3.75,-4.6,;2.46,-2.19,;1.25,-3.09,;-.11,-2.37,;-.1,-.82,;-1.38,-3.23,;-1.38,-4.77,;-.05,-5.55,;-.05,-7.08,;-1.38,-7.86,;1.29,-7.86,;-2.59,-2.34,;-3.95,-3.07,;-3.94,-4.61,;-5.22,-2.2,;-4.41,-.9,;-6.06,-3.48,;-6.53,-1.45,;-6.57,.09,;-5.22,.85,;-7.96,.78,;-7.96,2.28,;-9.35,2.94,;-10.59,2.02,;-9.36,4.47,;-7.82,4.49,;-10.89,4.45,;-9.38,6.01,;-9.3,.01,;-9.31,-1.52,;-10.63,.79,;2.46,-.65,;3.8,.13,;1.13,.13,;1.11,1.67,;15.29,-2.34,;15.3,-.79,;16.65,-3.07,;17.87,-2.18,;17.87,-.63,;19.2,.14,;20.67,-.35,;21.59,.88,;20.7,2.14,;19.22,1.68,;19.15,-3.04,;19.16,-4.59,;20.51,-2.32,;21.72,-3.21,;21.73,-4.75,;23.05,-5.53,;23.05,-7.06,;21.73,-7.83,;24.4,-7.83,;23,-2.34,;23.01,-.79,;24.37,-3.07,;25.59,-2.18,;25.59,-.64,;26.92,.14,;26.93,1.68,;28.25,2.44,;28.25,3.97,;29.58,4.74,;26.93,4.74,;26.86,-3.05,;26.87,-4.59,;28.22,-2.32,;29.43,-3.21,;29.43,-4.76,;30.71,-2.35,;30.72,-.8,;32.08,-3.08,;33.29,-2.19,;33.3,-.64,;34.63,.13,;34.63,1.67,;35.96,2.44,;35.96,3.98,;34.58,-3.05,;34.58,-4.6,;35.93,-2.31,;37.28,-3.05,;37.31,-4.58,;38.65,-5.32,;38.67,-6.85,;40.01,-7.59,;41.33,-6.8,;42.67,-7.53,;41.29,-5.26,;39.95,-4.53,;38.59,-2.26,;39.93,-2.99,;38.56,-.72,)|
Show InChI InChI=1S/C76H127N23O19/c1-13-15-19-46(90-68(113)53(34-39(3)4)94-66(111)50(27-30-56(79)102)92-70(115)59(41(7)14-2)97-67(112)51(28-31-57(103)104)96-73(118)76(11,12)99-71(116)58(40(5)6)98-72(117)75(9,10)83)64(109)95-54(36-44-37-84-38-86-44)69(114)91-49(26-29-55(78)101)65(110)89-48(21-18-33-85-74(81)82)62(107)87-42(8)61(106)88-47(20-16-17-32-77)63(108)93-52(60(80)105)35-43-22-24-45(100)25-23-43/h22-25,37-42,46-54,58-59,100H,13-21,26-36,77,83H2,1-12H3,(H2,78,101)(H2,79,102)(H2,80,105)(H,84,86)(H,87,107)(H,88,106)(H,89,110)(H,90,113)(H,91,114)(H,92,115)(H,93,108)(H,94,111)(H,95,109)(H,96,118)(H,97,112)(H,98,117)(H,99,116)(H,103,104)(H4,81,82,85)/t41-,42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58-,59-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/an/a 26n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at human PTH/PTH-related peptide receptor expressed in HEK293 cells assessed as induction of intracellular calcium mobilization


Proc Natl Acad Sci U S A 104: 6846-51 (2007)


Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V
More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50269976
PNG
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Ly...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:81.81,25.25,62.61,8.12,97.97,wD:16.21,92.93,72.72,55.55,106.106,4.4,44.44,29.34,(16.82,-7.68,;15.49,-6.94,;15.46,-5.4,;14.12,-4.66,;14.1,-3.13,;12.8,-2.32,;11.44,-3.04,;11.45,-4.59,;10.17,-2.17,;10.17,-.63,;11.5,.14,;11.51,1.68,;12.83,-.63,;8.95,-3.07,;7.59,-2.35,;7.59,-.8,;6.31,-3.21,;6.31,-4.76,;7.65,-5.53,;7.65,-7.06,;6.32,-7.84,;8.98,-7.84,;5.11,-2.32,;3.74,-3.06,;3.75,-4.6,;2.46,-2.19,;1.25,-3.09,;-.11,-2.37,;-.1,-.82,;-1.38,-3.23,;-1.38,-4.77,;-.05,-5.55,;-.05,-7.08,;-1.38,-7.86,;1.29,-7.86,;-2.59,-2.34,;-3.95,-3.07,;-3.94,-4.61,;-5.22,-2.2,;-4.41,-.9,;-6.06,-3.48,;-6.53,-1.45,;-6.57,.09,;-5.22,.85,;-7.96,.78,;-7.96,2.28,;-9.35,2.94,;-10.59,2.02,;-9.36,4.47,;-7.82,4.49,;-10.89,4.45,;-9.38,6.01,;-9.3,.01,;-9.31,-1.52,;-10.63,.79,;2.46,-.65,;3.8,.13,;1.13,.13,;1.11,1.67,;15.29,-2.34,;15.3,-.79,;16.65,-3.07,;17.87,-2.18,;17.87,-.63,;19.2,.14,;20.67,-.35,;21.59,.88,;20.7,2.14,;19.22,1.68,;19.15,-3.04,;19.16,-4.59,;20.51,-2.32,;21.72,-3.21,;21.73,-4.75,;23.05,-5.53,;23.05,-7.06,;21.73,-7.83,;24.4,-7.83,;23,-2.34,;23.01,-.79,;24.37,-3.07,;25.59,-2.18,;25.59,-.64,;26.92,.14,;26.93,1.68,;28.25,2.44,;28.25,3.97,;29.58,4.74,;26.93,4.74,;26.86,-3.05,;26.87,-4.59,;28.22,-2.32,;29.43,-3.21,;29.43,-4.76,;30.71,-2.35,;30.72,-.8,;32.08,-3.08,;33.29,-2.19,;33.3,-.64,;34.63,.13,;34.63,1.67,;35.96,2.44,;35.96,3.98,;34.58,-3.05,;34.58,-4.6,;35.93,-2.31,;37.28,-3.05,;37.31,-4.58,;38.65,-5.32,;38.67,-6.85,;40.01,-7.59,;41.33,-6.8,;42.67,-7.53,;41.29,-5.26,;39.95,-4.53,;38.59,-2.26,;39.93,-2.99,;38.56,-.72,)|
Show InChI InChI=1S/C76H127N23O19/c1-13-15-19-46(90-68(113)53(34-39(3)4)94-66(111)50(27-30-56(79)102)92-70(115)59(41(7)14-2)97-67(112)51(28-31-57(103)104)96-73(118)76(11,12)99-71(116)58(40(5)6)98-72(117)75(9,10)83)64(109)95-54(36-44-37-84-38-86-44)69(114)91-49(26-29-55(78)101)65(110)89-48(21-18-33-85-74(81)82)62(107)87-42(8)61(106)88-47(20-16-17-32-77)63(108)93-52(60(80)105)35-43-22-24-45(100)25-23-43/h22-25,37-42,46-54,58-59,100H,13-21,26-36,77,83H2,1-12H3,(H2,78,101)(H2,79,102)(H2,80,105)(H,84,86)(H,87,107)(H,88,106)(H,89,110)(H,90,113)(H,91,114)(H,92,115)(H,93,108)(H,94,111)(H,95,109)(H,96,118)(H,97,112)(H,98,117)(H,99,116)(H,103,104)(H4,81,82,85)/t41-,42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58-,59-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/an/a 0.150n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at human PTH/PTH-related peptide receptor expressed in HEK293 cells assessed as induction of luciferase activity by CRE-luciferase reporter ...


Proc Natl Acad Sci U S A 104: 6846-51 (2007)


Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V
More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50269976
PNG
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Ly...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:81.81,25.25,62.61,8.12,97.97,wD:16.21,92.93,72.72,55.55,106.106,4.4,44.44,29.34,(16.82,-7.68,;15.49,-6.94,;15.46,-5.4,;14.12,-4.66,;14.1,-3.13,;12.8,-2.32,;11.44,-3.04,;11.45,-4.59,;10.17,-2.17,;10.17,-.63,;11.5,.14,;11.51,1.68,;12.83,-.63,;8.95,-3.07,;7.59,-2.35,;7.59,-.8,;6.31,-3.21,;6.31,-4.76,;7.65,-5.53,;7.65,-7.06,;6.32,-7.84,;8.98,-7.84,;5.11,-2.32,;3.74,-3.06,;3.75,-4.6,;2.46,-2.19,;1.25,-3.09,;-.11,-2.37,;-.1,-.82,;-1.38,-3.23,;-1.38,-4.77,;-.05,-5.55,;-.05,-7.08,;-1.38,-7.86,;1.29,-7.86,;-2.59,-2.34,;-3.95,-3.07,;-3.94,-4.61,;-5.22,-2.2,;-4.41,-.9,;-6.06,-3.48,;-6.53,-1.45,;-6.57,.09,;-5.22,.85,;-7.96,.78,;-7.96,2.28,;-9.35,2.94,;-10.59,2.02,;-9.36,4.47,;-7.82,4.49,;-10.89,4.45,;-9.38,6.01,;-9.3,.01,;-9.31,-1.52,;-10.63,.79,;2.46,-.65,;3.8,.13,;1.13,.13,;1.11,1.67,;15.29,-2.34,;15.3,-.79,;16.65,-3.07,;17.87,-2.18,;17.87,-.63,;19.2,.14,;20.67,-.35,;21.59,.88,;20.7,2.14,;19.22,1.68,;19.15,-3.04,;19.16,-4.59,;20.51,-2.32,;21.72,-3.21,;21.73,-4.75,;23.05,-5.53,;23.05,-7.06,;21.73,-7.83,;24.4,-7.83,;23,-2.34,;23.01,-.79,;24.37,-3.07,;25.59,-2.18,;25.59,-.64,;26.92,.14,;26.93,1.68,;28.25,2.44,;28.25,3.97,;29.58,4.74,;26.93,4.74,;26.86,-3.05,;26.87,-4.59,;28.22,-2.32,;29.43,-3.21,;29.43,-4.76,;30.71,-2.35,;30.72,-.8,;32.08,-3.08,;33.29,-2.19,;33.3,-.64,;34.63,.13,;34.63,1.67,;35.96,2.44,;35.96,3.98,;34.58,-3.05,;34.58,-4.6,;35.93,-2.31,;37.28,-3.05,;37.31,-4.58,;38.65,-5.32,;38.67,-6.85,;40.01,-7.59,;41.33,-6.8,;42.67,-7.53,;41.29,-5.26,;39.95,-4.53,;38.59,-2.26,;39.93,-2.99,;38.56,-.72,)|
Show InChI InChI=1S/C76H127N23O19/c1-13-15-19-46(90-68(113)53(34-39(3)4)94-66(111)50(27-30-56(79)102)92-70(115)59(41(7)14-2)97-67(112)51(28-31-57(103)104)96-73(118)76(11,12)99-71(116)58(40(5)6)98-72(117)75(9,10)83)64(109)95-54(36-44-37-84-38-86-44)69(114)91-49(26-29-55(78)101)65(110)89-48(21-18-33-85-74(81)82)62(107)87-42(8)61(106)88-47(20-16-17-32-77)63(108)93-52(60(80)105)35-43-22-24-45(100)25-23-43/h22-25,37-42,46-54,58-59,100H,13-21,26-36,77,83H2,1-12H3,(H2,78,101)(H2,79,102)(H2,80,105)(H,84,86)(H,87,107)(H,88,106)(H,89,110)(H,90,113)(H,91,114)(H,92,115)(H,93,108)(H,94,111)(H,95,109)(H,96,118)(H,97,112)(H,98,117)(H,99,116)(H,103,104)(H4,81,82,85)/t41-,42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58-,59-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/an/a 2.20n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at human PTH/PTH-related peptide receptor expressed in SAOS2 cells assessed as cAMP formation


Proc Natl Acad Sci U S A 104: 6846-51 (2007)


Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V
More data for this
Ligand-Target Pair
Parathyroid hormone 1 receptor (PTH1R)


(Rattus norvegicus (Rat))
BDBM50269976
PNG
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Ly...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:81.81,25.25,62.61,8.12,97.97,wD:16.21,92.93,72.72,55.55,106.106,4.4,44.44,29.34,(16.82,-7.68,;15.49,-6.94,;15.46,-5.4,;14.12,-4.66,;14.1,-3.13,;12.8,-2.32,;11.44,-3.04,;11.45,-4.59,;10.17,-2.17,;10.17,-.63,;11.5,.14,;11.51,1.68,;12.83,-.63,;8.95,-3.07,;7.59,-2.35,;7.59,-.8,;6.31,-3.21,;6.31,-4.76,;7.65,-5.53,;7.65,-7.06,;6.32,-7.84,;8.98,-7.84,;5.11,-2.32,;3.74,-3.06,;3.75,-4.6,;2.46,-2.19,;1.25,-3.09,;-.11,-2.37,;-.1,-.82,;-1.38,-3.23,;-1.38,-4.77,;-.05,-5.55,;-.05,-7.08,;-1.38,-7.86,;1.29,-7.86,;-2.59,-2.34,;-3.95,-3.07,;-3.94,-4.61,;-5.22,-2.2,;-4.41,-.9,;-6.06,-3.48,;-6.53,-1.45,;-6.57,.09,;-5.22,.85,;-7.96,.78,;-7.96,2.28,;-9.35,2.94,;-10.59,2.02,;-9.36,4.47,;-7.82,4.49,;-10.89,4.45,;-9.38,6.01,;-9.3,.01,;-9.31,-1.52,;-10.63,.79,;2.46,-.65,;3.8,.13,;1.13,.13,;1.11,1.67,;15.29,-2.34,;15.3,-.79,;16.65,-3.07,;17.87,-2.18,;17.87,-.63,;19.2,.14,;20.67,-.35,;21.59,.88,;20.7,2.14,;19.22,1.68,;19.15,-3.04,;19.16,-4.59,;20.51,-2.32,;21.72,-3.21,;21.73,-4.75,;23.05,-5.53,;23.05,-7.06,;21.73,-7.83,;24.4,-7.83,;23,-2.34,;23.01,-.79,;24.37,-3.07,;25.59,-2.18,;25.59,-.64,;26.92,.14,;26.93,1.68,;28.25,2.44,;28.25,3.97,;29.58,4.74,;26.93,4.74,;26.86,-3.05,;26.87,-4.59,;28.22,-2.32,;29.43,-3.21,;29.43,-4.76,;30.71,-2.35,;30.72,-.8,;32.08,-3.08,;33.29,-2.19,;33.3,-.64,;34.63,.13,;34.63,1.67,;35.96,2.44,;35.96,3.98,;34.58,-3.05,;34.58,-4.6,;35.93,-2.31,;37.28,-3.05,;37.31,-4.58,;38.65,-5.32,;38.67,-6.85,;40.01,-7.59,;41.33,-6.8,;42.67,-7.53,;41.29,-5.26,;39.95,-4.53,;38.59,-2.26,;39.93,-2.99,;38.56,-.72,)|
Show InChI InChI=1S/C76H127N23O19/c1-13-15-19-46(90-68(113)53(34-39(3)4)94-66(111)50(27-30-56(79)102)92-70(115)59(41(7)14-2)97-67(112)51(28-31-57(103)104)96-73(118)76(11,12)99-71(116)58(40(5)6)98-72(117)75(9,10)83)64(109)95-54(36-44-37-84-38-86-44)69(114)91-49(26-29-55(78)101)65(110)89-48(21-18-33-85-74(81)82)62(107)87-42(8)61(106)88-47(20-16-17-32-77)63(108)93-52(60(80)105)35-43-22-24-45(100)25-23-43/h22-25,37-42,46-54,58-59,100H,13-21,26-36,77,83H2,1-12H3,(H2,78,101)(H2,79,102)(H2,80,105)(H,84,86)(H,87,107)(H,88,106)(H,89,110)(H,90,113)(H,91,114)(H,92,115)(H,93,108)(H,94,111)(H,95,109)(H,96,118)(H,97,112)(H,98,117)(H,99,116)(H,103,104)(H4,81,82,85)/t41-,42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58-,59-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at rat PTH/PTH-related peptide receptor expressed in rat UMR106 cells assessed as cAMP formation


Proc Natl Acad Sci U S A 104: 6846-51 (2007)


Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V
More data for this
Ligand-Target Pair
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50269976
PNG
(Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Ly...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:81.81,25.25,62.61,8.12,97.97,wD:16.21,92.93,72.72,55.55,106.106,4.4,44.44,29.34,(16.82,-7.68,;15.49,-6.94,;15.46,-5.4,;14.12,-4.66,;14.1,-3.13,;12.8,-2.32,;11.44,-3.04,;11.45,-4.59,;10.17,-2.17,;10.17,-.63,;11.5,.14,;11.51,1.68,;12.83,-.63,;8.95,-3.07,;7.59,-2.35,;7.59,-.8,;6.31,-3.21,;6.31,-4.76,;7.65,-5.53,;7.65,-7.06,;6.32,-7.84,;8.98,-7.84,;5.11,-2.32,;3.74,-3.06,;3.75,-4.6,;2.46,-2.19,;1.25,-3.09,;-.11,-2.37,;-.1,-.82,;-1.38,-3.23,;-1.38,-4.77,;-.05,-5.55,;-.05,-7.08,;-1.38,-7.86,;1.29,-7.86,;-2.59,-2.34,;-3.95,-3.07,;-3.94,-4.61,;-5.22,-2.2,;-4.41,-.9,;-6.06,-3.48,;-6.53,-1.45,;-6.57,.09,;-5.22,.85,;-7.96,.78,;-7.96,2.28,;-9.35,2.94,;-10.59,2.02,;-9.36,4.47,;-7.82,4.49,;-10.89,4.45,;-9.38,6.01,;-9.3,.01,;-9.31,-1.52,;-10.63,.79,;2.46,-.65,;3.8,.13,;1.13,.13,;1.11,1.67,;15.29,-2.34,;15.3,-.79,;16.65,-3.07,;17.87,-2.18,;17.87,-.63,;19.2,.14,;20.67,-.35,;21.59,.88,;20.7,2.14,;19.22,1.68,;19.15,-3.04,;19.16,-4.59,;20.51,-2.32,;21.72,-3.21,;21.73,-4.75,;23.05,-5.53,;23.05,-7.06,;21.73,-7.83,;24.4,-7.83,;23,-2.34,;23.01,-.79,;24.37,-3.07,;25.59,-2.18,;25.59,-.64,;26.92,.14,;26.93,1.68,;28.25,2.44,;28.25,3.97,;29.58,4.74,;26.93,4.74,;26.86,-3.05,;26.87,-4.59,;28.22,-2.32,;29.43,-3.21,;29.43,-4.76,;30.71,-2.35,;30.72,-.8,;32.08,-3.08,;33.29,-2.19,;33.3,-.64,;34.63,.13,;34.63,1.67,;35.96,2.44,;35.96,3.98,;34.58,-3.05,;34.58,-4.6,;35.93,-2.31,;37.28,-3.05,;37.31,-4.58,;38.65,-5.32,;38.67,-6.85,;40.01,-7.59,;41.33,-6.8,;42.67,-7.53,;41.29,-5.26,;39.95,-4.53,;38.59,-2.26,;39.93,-2.99,;38.56,-.72,)|
Show InChI InChI=1S/C76H127N23O19/c1-13-15-19-46(90-68(113)53(34-39(3)4)94-66(111)50(27-30-56(79)102)92-70(115)59(41(7)14-2)97-67(112)51(28-31-57(103)104)96-73(118)76(11,12)99-71(116)58(40(5)6)98-72(117)75(9,10)83)64(109)95-54(36-44-37-84-38-86-44)69(114)91-49(26-29-55(78)101)65(110)89-48(21-18-33-85-74(81)82)62(107)87-42(8)61(106)88-47(20-16-17-32-77)63(108)93-52(60(80)105)35-43-22-24-45(100)25-23-43/h22-25,37-42,46-54,58-59,100H,13-21,26-36,77,83H2,1-12H3,(H2,78,101)(H2,79,102)(H2,80,105)(H,84,86)(H,87,107)(H,88,106)(H,89,110)(H,90,113)(H,91,114)(H,92,115)(H,93,108)(H,94,111)(H,95,109)(H,96,118)(H,97,112)(H,98,117)(H,99,116)(H,103,104)(H4,81,82,85)/t41-,42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58-,59-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 6.87n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]DPC-AJ1951 from PTH/PTH-related peptide receptor (unknown origin) expressed in HKRK-B28 cells


Proc Natl Acad Sci U S A 104: 6846-51 (2007)


Article DOI: 10.1073/pnas.0605125104
BindingDB Entry DOI: 10.7270/Q28P608V
More data for this
Ligand-Target Pair