Found 3 hits with Last Name = 'gesiot' and Initial = 'l' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50331020
((S)-5-((2S,3S)-1-((2S,5S,8S,11S,20S)-8-((1H-imidaz...)Show SMILES CCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](CCCCN=C(N)N)C(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 |r,wU:4.3,88.90,26.41,62.69,77.79,16.56,43.44,wD:8.8,30.30,58.60,(18.41,-10.07,;19.72,-10.88,;19.65,-12.42,;20.95,-13.24,;20.9,-14.78,;19.54,-15.5,;18.21,-14.73,;18.21,-13.19,;16.88,-15.5,;16.88,-17.03,;18.21,-17.8,;18.21,-19.34,;19.54,-17.03,;15.54,-14.73,;14.23,-15.55,;14.29,-17.09,;12.87,-14.82,;12.81,-13.27,;14.13,-12.46,;14.08,-10.91,;15.38,-10.1,;15.76,-8.45,;27.58,-11.05,;28.92,-10.28,;27.58,-12.59,;28.91,-13.36,;28.91,-14.9,;27.57,-15.67,;26.25,-14.89,;26.25,-13.34,;24.91,-15.66,;24.91,-17.19,;26.13,-18.13,;27.59,-17.72,;28.46,-18.99,;27.5,-20.21,;26.05,-19.67,;23.57,-14.89,;22.2,-15.59,;22.14,-17.13,;30.24,-15.67,;30.23,-17.2,;31.55,-14.85,;32.87,-15.63,;34.22,-14.89,;34.25,-13.34,;32.94,-12.55,;32.97,-11.02,;31.65,-10.22,;31.72,-8.68,;33.05,-7.9,;30.35,-7.85,;32.84,-17.17,;34.16,-17.96,;31.5,-17.91,;11.54,-15.6,;10.18,-14.87,;10.18,-13.34,;8.92,-15.72,;7.68,-14.81,;6.35,-15.58,;6.35,-17.12,;5.01,-14.8,;5.01,-13.25,;6.35,-12.48,;6.35,-10.94,;5.03,-10.17,;7.69,-10.16,;3.69,-15.59,;2.35,-14.82,;2.35,-13.27,;1.02,-15.6,;2.01,-16.78,;.02,-16.78,;-.32,-14.83,;-1.65,-15.6,;-1.65,-17.16,;-3,-14.83,;-4.33,-15.6,;-5.66,-14.81,;-5.66,-13.26,;-6.99,-15.58,;-6,-16.78,;-8,-16.78,;-8.37,-14.82,;-3,-13.28,;-1.65,-12.51,;-4.35,-12.51,;8.93,-17.24,;10.24,-18,;7.62,-18,;7.6,-19.52,)| Show InChI InChI=1S/C60H104N18O14/c1-12-14-19-37-48(83)74-42(29-35-30-65-31-68-35)53(88)71-39(50(85)69-36(47(61)82)20-15-18-27-67-58(62)63)22-24-43(79)66-26-17-16-21-38(49(84)73-41(28-32(3)4)52(87)70-37)72-54(89)46(34(7)13-2)76-51(86)40(23-25-44(80)81)75-57(92)60(10,11)78-55(90)45(33(5)6)77-56(91)59(8,9)64/h30-34,36-42,45-46H,12-29,64H2,1-11H3,(H2,61,82)(H,65,68)(H,66,79)(H,69,85)(H,70,87)(H,71,88)(H,72,89)(H,73,84)(H,74,83)(H,75,92)(H,76,86)(H,77,91)(H,78,90)(H,80,81)(H4,62,63,67)/t34-,36-,37-,38-,39-,40-,41-,42-,45-,46-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant PTHR1 expressed in HEK293 cells co-transfected with CRE-Luc assessed as increase of adenylyl-cyclase activity after 4... |
J Med Chem 53: 8072-9 (2010)
Article DOI: 10.1021/jm1008264
BindingDB Entry DOI: 10.7270/Q2GM87KQ |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50331022
((7S,10S,13S,16S,19S,22S,25S,28S)-13-((1H-imidazol-...)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](CCCCN=C(N)N)C(N)=O |r,wU:8.12,25.25,62.61,wD:55.55,44.44,4.4,16.21,72.72,81.81,29.34,(18.61,-11.45,;19.92,-10.64,;19.86,-9.1,;21.16,-8.28,;21.1,-6.74,;19.72,-6.07,;18.37,-6.82,;18.37,-8.36,;17.04,-6.05,;17.04,-4.52,;18.37,-3.75,;18.37,-2.21,;19.71,-4.52,;15.72,-6.83,;14.44,-5.97,;14.5,-4.43,;13.08,-6.7,;13.02,-8.24,;14.33,-9.06,;14.28,-10.61,;12.87,-11.37,;15.59,-11.42,;11.74,-5.93,;10.38,-6.64,;10.38,-8.16,;9.12,-5.79,;7.88,-6.71,;6.55,-5.93,;6.55,-4.39,;5.21,-6.72,;5.21,-8.26,;6.55,-9.03,;6.55,-10.57,;5.24,-11.37,;7.89,-11.35,;3.88,-5.94,;2.54,-6.71,;2.54,-8.26,;1.21,-5.93,;2.2,-4.75,;.21,-4.75,;-.12,-6.71,;-1.44,-5.92,;-1.44,-4.35,;-2.78,-6.69,;-4.13,-5.94,;-5.46,-6.72,;-5.46,-8.27,;-6.8,-5.95,;-5.81,-4.75,;-7.81,-4.75,;-8.19,-6.73,;-2.78,-8.24,;-1.44,-9.01,;-4.14,-9.01,;9.12,-4.26,;10.43,-3.51,;7.81,-3.5,;7.79,-1.99,;22.41,-5.93,;22.35,-4.39,;23.77,-6.64,;25.09,-5.86,;25.09,-4.32,;26.31,-3.39,;27.77,-3.8,;28.64,-2.52,;27.68,-1.31,;26.24,-1.85,;26.43,-6.63,;26.43,-8.18,;27.77,-5.87,;29.13,-6.6,;29.13,-8.14,;27.8,-8.91,;27.81,-10.45,;29.15,-11.22,;26.47,-11.22,;30.46,-5.83,;30.46,-4.29,;31.8,-6.59,;33.13,-5.8,;34.47,-6.55,;34.5,-8.09,;33.19,-8.89,;33.22,-10.42,;31.92,-11.24,;31.97,-12.78,;33.32,-13.57,;30.61,-13.61,;33.1,-4.27,;34.42,-3.48,;31.75,-3.52,)| Show InChI InChI=1S/C59H103N19O15/c1-12-14-17-35(47(84)74-40(27-33-28-66-29-68-33)52(89)71-36(19-22-41(60)79)48(85)69-34(46(62)83)18-15-16-25-67-57(63)64)70-51(88)39(26-30(3)4)73-49(86)37(20-23-42(61)80)72-53(90)45(32(7)13-2)76-50(87)38(21-24-43(81)82)75-56(93)59(10,11)78-54(91)44(31(5)6)77-55(92)58(8,9)65/h28-32,34-40,44-45H,12-27,65H2,1-11H3,(H2,60,79)(H2,61,80)(H2,62,83)(H,66,68)(H,69,85)(H,70,88)(H,71,89)(H,72,90)(H,73,86)(H,74,84)(H,75,93)(H,76,87)(H,77,92)(H,78,91)(H,81,82)(H4,63,64,67)/t32-,34-,35-,36-,37-,38-,39-,40-,44-,45-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant PTHR1 expressed in HEK293 cells co-transfected with CRE-Luc assessed as increase of adenylyl-cyclase activity after 4... |
J Med Chem 53: 8072-9 (2010)
Article DOI: 10.1021/jm1008264
BindingDB Entry DOI: 10.7270/Q2GM87KQ |
More data for this
Ligand-Target Pair | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50331021
((S)-5-((2S,3S)-1-((3S,6S,9S,12S,15S)-6-((1H-imidaz...)Show SMILES CCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](COC(=O)CCCCC(=O)OC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](CCCCN=C(N)N)C(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 |r,wU:4.3,91.93,29.44,65.72,80.82,16.59,46.47,wD:8.8,33.33,61.63,(17.81,-30.3,;19.11,-31.13,;19.05,-32.67,;20.35,-33.48,;20.3,-35.02,;18.94,-35.74,;17.61,-34.97,;17.61,-33.43,;16.28,-35.74,;16.28,-37.28,;17.61,-38.05,;17.61,-39.58,;18.94,-37.28,;14.94,-34.98,;13.64,-35.79,;13.69,-37.34,;12.27,-35.06,;12.22,-33.52,;13.52,-32.7,;13.47,-31.16,;12.12,-30.43,;14.78,-30.35,;15.36,-28.41,;23.96,-28.06,;25.65,-30.52,;26.98,-31.29,;28.32,-30.53,;26.97,-32.83,;28.3,-33.6,;28.3,-35.14,;26.97,-35.92,;25.64,-35.13,;25.64,-33.58,;24.3,-35.9,;24.3,-37.43,;25.53,-38.37,;26.98,-37.97,;27.85,-39.23,;26.89,-40.45,;25.45,-39.91,;22.97,-35.14,;21.59,-35.84,;21.54,-37.37,;29.63,-35.91,;29.63,-37.44,;30.94,-35.09,;32.27,-35.88,;33.6,-35.13,;33.64,-33.59,;32.33,-32.79,;32.36,-31.26,;31.04,-30.46,;31.11,-28.92,;32.45,-28.14,;29.74,-28.1,;32.23,-37.41,;33.55,-38.2,;30.89,-38.15,;10.95,-35.84,;9.59,-35.11,;9.59,-33.59,;8.33,-35.96,;7.09,-35.04,;5.75,-35.81,;5.75,-37.36,;4.42,-35.04,;4.42,-33.49,;5.75,-32.72,;5.75,-31.18,;4.44,-30.42,;7.1,-30.41,;3.09,-35.83,;1.76,-35.06,;1.76,-33.51,;.42,-35.84,;1.42,-37.03,;-.57,-37.03,;-.91,-35.08,;-2.26,-35.83,;-2.26,-37.4,;-3.6,-35.06,;-4.93,-35.84,;-6.26,-35.05,;-6.26,-33.5,;-7.61,-35.82,;-6.59,-37.02,;-8.6,-37.02,;-8.96,-35.07,;-3.6,-33.51,;-2.26,-32.74,;-4.96,-32.74,;8.33,-37.48,;9.64,-38.24,;7.02,-38.24,;7,-39.76,)| Show InChI InChI=1S/C61H103N17O17/c1-12-14-19-37-49(84)72-40(27-35-28-66-31-68-35)52(87)73-41(53(88)69-36(48(62)83)20-17-18-25-67-59(63)64)29-94-44(81)21-15-16-22-45(82)95-30-42(54(89)71-39(26-32(3)4)51(86)70-37)74-55(90)47(34(7)13-2)76-50(85)38(23-24-43(79)80)75-58(93)61(10,11)78-56(91)46(33(5)6)77-57(92)60(8,9)65/h28,31-34,36-42,46-47H,12-27,29-30,65H2,1-11H3,(H2,62,83)(H,66,68)(H,69,88)(H,70,86)(H,71,89)(H,72,84)(H,73,87)(H,74,90)(H,75,93)(H,76,85)(H,77,92)(H,78,91)(H,79,80)(H4,63,64,67)/t34-,36-,37-,38-,39-,40-,41-,42-,46-,47-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant PTHR1 expressed in HEK293 cells co-transfected with CRE-Luc assessed as increase of adenylyl-cyclase activity after 4... |
J Med Chem 53: 8072-9 (2010)
Article DOI: 10.1021/jm1008264
BindingDB Entry DOI: 10.7270/Q2GM87KQ |
More data for this
Ligand-Target Pair | |
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