Found 3 hits Enz. Inhib. hit(s) with Target = 'Parathyroid hormone/parathyroid hormone-related peptide receptor' and Ligand = 'BDBM50269977' 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)) | BDBM50269977
(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(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:62.61,8.12,97.97,81.81,25.25,118.119,wD:55.55,106.106,4.4,44.44,29.34,16.21,92.93,72.72,(16.67,-31.38,;15.33,-30.63,;15.31,-29.09,;13.97,-28.35,;13.94,-26.81,;12.64,-26,;11.27,-26.72,;11.28,-28.28,;10,-25.85,;10,-24.31,;11.34,-23.53,;11.34,-21.99,;12.67,-24.31,;8.78,-26.75,;7.41,-26.03,;7.42,-24.48,;6.13,-26.9,;6.14,-28.44,;7.47,-29.22,;7.47,-30.76,;6.14,-31.53,;8.8,-31.53,;4.92,-26,;3.55,-26.74,;3.56,-28.29,;2.27,-25.87,;1.05,-26.77,;-.3,-26.05,;-.3,-24.49,;-1.58,-26.92,;-1.58,-28.46,;-.25,-29.24,;-.25,-30.77,;-1.58,-31.56,;1.09,-31.56,;-2.8,-26.02,;-4.15,-26.75,;-4.15,-28.3,;-5.43,-25.88,;-4.62,-24.58,;-6.27,-27.16,;-6.75,-25.13,;-6.78,-23.59,;-5.43,-22.83,;-8.17,-22.89,;-8.18,-21.39,;-9.57,-20.73,;-10.82,-21.65,;-9.58,-19.19,;-8.04,-19.18,;-11.11,-19.21,;-9.6,-17.65,;-9.53,-23.66,;-9.53,-25.2,;-10.85,-22.88,;2.27,-24.33,;3.61,-23.55,;.93,-23.55,;.92,-22,;15.13,-26.02,;15.15,-24.47,;16.5,-26.75,;17.72,-25.86,;17.72,-24.31,;19.06,-23.53,;20.53,-24.03,;21.45,-22.79,;20.56,-21.53,;19.07,-21.99,;19.01,-26.73,;19.01,-28.28,;20.37,-26,;21.59,-26.89,;21.59,-28.44,;22.92,-29.21,;22.92,-30.75,;21.59,-31.53,;24.27,-31.53,;22.87,-26.02,;22.88,-24.47,;24.24,-26.75,;25.46,-25.86,;25.46,-24.31,;26.8,-23.54,;26.8,-21.99,;28.13,-21.23,;28.13,-19.69,;29.46,-18.92,;26.8,-18.92,;26.74,-26.73,;26.74,-28.28,;28.1,-26,;29.31,-26.9,;29.31,-28.44,;30.6,-26.03,;30.6,-24.48,;31.97,-26.76,;33.19,-25.87,;33.19,-24.32,;34.53,-23.54,;34.53,-22,;35.86,-21.23,;35.86,-19.69,;34.47,-26.74,;34.48,-28.29,;35.83,-26,;37.18,-26.73,;37.21,-28.27,;38.56,-29.01,;38.58,-30.54,;39.93,-31.28,;41.24,-30.49,;42.59,-31.23,;41.2,-28.95,;39.86,-28.21,;38.49,-25.94,;38.46,-24.4,;39.84,-26.67,;41.16,-25.89,;41.15,-24.36,;39.82,-23.6,;39.81,-22.06,;38.48,-21.3,;38.45,-19.76,;39.76,-18.97,;41.1,-19.72,;39.72,-17.44,;38.19,-17.47,;37.4,-16.15,;38.14,-14.8,;39.68,-14.78,;40.47,-16.1,;41.99,-16.08,;42.74,-14.73,;41.96,-13.41,;42.71,-12.07,;44.25,-12.05,;44.99,-10.71,;45.04,-13.36,;44.3,-14.71,;45.1,-16.03,;44.33,-17.38,;45.12,-18.7,;44.36,-20.05,;45.15,-21.37,;42.82,-20.07,;42.04,-18.74,;42.79,-17.4,;42.5,-26.65,;42.51,-28.19,;43.83,-25.88,)| Show InChI InChI=1S/C102H149N25O24/c1-13-15-25-67(118-93(144)73(46-53(3)4)121-91(142)71(38-41-79(105)132)120-96(147)83(55(7)14-2)125-92(143)72(39-42-80(133)134)124-99(150)102(11,12)127-97(148)82(54(5)6)126-98(149)101(9,10)109)88(139)123-75(48-58-51-110-52-113-58)95(146)119-70(37-40-78(104)131)90(141)117-69(28-22-45-112-100(107)108)87(138)114-56(8)85(136)116-68(27-18-20-43-103)89(140)122-74(47-57-29-31-59(128)32-30-57)94(145)115-66(84(106)135)26-19-21-44-111-86(137)63-24-17-16-23-62(63)81-64-35-33-60(129)49-76(64)151-77-50-61(130)34-36-65(77)81/h16-17,23-24,29-36,49-56,66-75,82-83,128-129H,13-15,18-22,25-28,37-48,103,109H2,1-12H3,(H2,104,131)(H2,105,132)(H2,106,135)(H,110,113)(H,111,137)(H,114,138)(H,115,145)(H,116,136)(H,117,141)(H,118,144)(H,119,146)(H,120,147)(H,121,142)(H,122,140)(H,123,139)(H,124,150)(H,125,143)(H,126,149)(H,127,148)(H,133,134)(H4,107,108,112)/t55-,56-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,82-,83-/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 | 98.2 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Parathyroid hormone/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50269977
(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(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:62.61,8.12,97.97,81.81,25.25,118.119,wD:55.55,106.106,4.4,44.44,29.34,16.21,92.93,72.72,(16.67,-31.38,;15.33,-30.63,;15.31,-29.09,;13.97,-28.35,;13.94,-26.81,;12.64,-26,;11.27,-26.72,;11.28,-28.28,;10,-25.85,;10,-24.31,;11.34,-23.53,;11.34,-21.99,;12.67,-24.31,;8.78,-26.75,;7.41,-26.03,;7.42,-24.48,;6.13,-26.9,;6.14,-28.44,;7.47,-29.22,;7.47,-30.76,;6.14,-31.53,;8.8,-31.53,;4.92,-26,;3.55,-26.74,;3.56,-28.29,;2.27,-25.87,;1.05,-26.77,;-.3,-26.05,;-.3,-24.49,;-1.58,-26.92,;-1.58,-28.46,;-.25,-29.24,;-.25,-30.77,;-1.58,-31.56,;1.09,-31.56,;-2.8,-26.02,;-4.15,-26.75,;-4.15,-28.3,;-5.43,-25.88,;-4.62,-24.58,;-6.27,-27.16,;-6.75,-25.13,;-6.78,-23.59,;-5.43,-22.83,;-8.17,-22.89,;-8.18,-21.39,;-9.57,-20.73,;-10.82,-21.65,;-9.58,-19.19,;-8.04,-19.18,;-11.11,-19.21,;-9.6,-17.65,;-9.53,-23.66,;-9.53,-25.2,;-10.85,-22.88,;2.27,-24.33,;3.61,-23.55,;.93,-23.55,;.92,-22,;15.13,-26.02,;15.15,-24.47,;16.5,-26.75,;17.72,-25.86,;17.72,-24.31,;19.06,-23.53,;20.53,-24.03,;21.45,-22.79,;20.56,-21.53,;19.07,-21.99,;19.01,-26.73,;19.01,-28.28,;20.37,-26,;21.59,-26.89,;21.59,-28.44,;22.92,-29.21,;22.92,-30.75,;21.59,-31.53,;24.27,-31.53,;22.87,-26.02,;22.88,-24.47,;24.24,-26.75,;25.46,-25.86,;25.46,-24.31,;26.8,-23.54,;26.8,-21.99,;28.13,-21.23,;28.13,-19.69,;29.46,-18.92,;26.8,-18.92,;26.74,-26.73,;26.74,-28.28,;28.1,-26,;29.31,-26.9,;29.31,-28.44,;30.6,-26.03,;30.6,-24.48,;31.97,-26.76,;33.19,-25.87,;33.19,-24.32,;34.53,-23.54,;34.53,-22,;35.86,-21.23,;35.86,-19.69,;34.47,-26.74,;34.48,-28.29,;35.83,-26,;37.18,-26.73,;37.21,-28.27,;38.56,-29.01,;38.58,-30.54,;39.93,-31.28,;41.24,-30.49,;42.59,-31.23,;41.2,-28.95,;39.86,-28.21,;38.49,-25.94,;38.46,-24.4,;39.84,-26.67,;41.16,-25.89,;41.15,-24.36,;39.82,-23.6,;39.81,-22.06,;38.48,-21.3,;38.45,-19.76,;39.76,-18.97,;41.1,-19.72,;39.72,-17.44,;38.19,-17.47,;37.4,-16.15,;38.14,-14.8,;39.68,-14.78,;40.47,-16.1,;41.99,-16.08,;42.74,-14.73,;41.96,-13.41,;42.71,-12.07,;44.25,-12.05,;44.99,-10.71,;45.04,-13.36,;44.3,-14.71,;45.1,-16.03,;44.33,-17.38,;45.12,-18.7,;44.36,-20.05,;45.15,-21.37,;42.82,-20.07,;42.04,-18.74,;42.79,-17.4,;42.5,-26.65,;42.51,-28.19,;43.83,-25.88,)| Show InChI InChI=1S/C102H149N25O24/c1-13-15-25-67(118-93(144)73(46-53(3)4)121-91(142)71(38-41-79(105)132)120-96(147)83(55(7)14-2)125-92(143)72(39-42-80(133)134)124-99(150)102(11,12)127-97(148)82(54(5)6)126-98(149)101(9,10)109)88(139)123-75(48-58-51-110-52-113-58)95(146)119-70(37-40-78(104)131)90(141)117-69(28-22-45-112-100(107)108)87(138)114-56(8)85(136)116-68(27-18-20-43-103)89(140)122-74(47-57-29-31-59(128)32-30-57)94(145)115-66(84(106)135)26-19-21-44-111-86(137)63-24-17-16-23-62(63)81-64-35-33-60(129)49-76(64)151-77-50-61(130)34-36-65(77)81/h16-17,23-24,29-36,49-56,66-75,82-83,128-129H,13-15,18-22,25-28,37-48,103,109H2,1-12H3,(H2,104,131)(H2,105,132)(H2,106,135)(H,110,113)(H,111,137)(H,114,138)(H,115,145)(H,116,136)(H,117,141)(H,118,144)(H,119,146)(H,120,147)(H,121,142)(H,122,140)(H,123,139)(H,124,150)(H,125,143)(H,126,149)(H,127,148)(H,133,134)(H4,107,108,112)/t55-,56-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,82-,83-/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 | 1.10 | n/a | n/a | n/a | n/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/parathyroid hormone-related peptide receptor
(Homo sapiens (Human)) | BDBM50269977
(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(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:62.61,8.12,97.97,81.81,25.25,118.119,wD:55.55,106.106,4.4,44.44,29.34,16.21,92.93,72.72,(16.67,-31.38,;15.33,-30.63,;15.31,-29.09,;13.97,-28.35,;13.94,-26.81,;12.64,-26,;11.27,-26.72,;11.28,-28.28,;10,-25.85,;10,-24.31,;11.34,-23.53,;11.34,-21.99,;12.67,-24.31,;8.78,-26.75,;7.41,-26.03,;7.42,-24.48,;6.13,-26.9,;6.14,-28.44,;7.47,-29.22,;7.47,-30.76,;6.14,-31.53,;8.8,-31.53,;4.92,-26,;3.55,-26.74,;3.56,-28.29,;2.27,-25.87,;1.05,-26.77,;-.3,-26.05,;-.3,-24.49,;-1.58,-26.92,;-1.58,-28.46,;-.25,-29.24,;-.25,-30.77,;-1.58,-31.56,;1.09,-31.56,;-2.8,-26.02,;-4.15,-26.75,;-4.15,-28.3,;-5.43,-25.88,;-4.62,-24.58,;-6.27,-27.16,;-6.75,-25.13,;-6.78,-23.59,;-5.43,-22.83,;-8.17,-22.89,;-8.18,-21.39,;-9.57,-20.73,;-10.82,-21.65,;-9.58,-19.19,;-8.04,-19.18,;-11.11,-19.21,;-9.6,-17.65,;-9.53,-23.66,;-9.53,-25.2,;-10.85,-22.88,;2.27,-24.33,;3.61,-23.55,;.93,-23.55,;.92,-22,;15.13,-26.02,;15.15,-24.47,;16.5,-26.75,;17.72,-25.86,;17.72,-24.31,;19.06,-23.53,;20.53,-24.03,;21.45,-22.79,;20.56,-21.53,;19.07,-21.99,;19.01,-26.73,;19.01,-28.28,;20.37,-26,;21.59,-26.89,;21.59,-28.44,;22.92,-29.21,;22.92,-30.75,;21.59,-31.53,;24.27,-31.53,;22.87,-26.02,;22.88,-24.47,;24.24,-26.75,;25.46,-25.86,;25.46,-24.31,;26.8,-23.54,;26.8,-21.99,;28.13,-21.23,;28.13,-19.69,;29.46,-18.92,;26.8,-18.92,;26.74,-26.73,;26.74,-28.28,;28.1,-26,;29.31,-26.9,;29.31,-28.44,;30.6,-26.03,;30.6,-24.48,;31.97,-26.76,;33.19,-25.87,;33.19,-24.32,;34.53,-23.54,;34.53,-22,;35.86,-21.23,;35.86,-19.69,;34.47,-26.74,;34.48,-28.29,;35.83,-26,;37.18,-26.73,;37.21,-28.27,;38.56,-29.01,;38.58,-30.54,;39.93,-31.28,;41.24,-30.49,;42.59,-31.23,;41.2,-28.95,;39.86,-28.21,;38.49,-25.94,;38.46,-24.4,;39.84,-26.67,;41.16,-25.89,;41.15,-24.36,;39.82,-23.6,;39.81,-22.06,;38.48,-21.3,;38.45,-19.76,;39.76,-18.97,;41.1,-19.72,;39.72,-17.44,;38.19,-17.47,;37.4,-16.15,;38.14,-14.8,;39.68,-14.78,;40.47,-16.1,;41.99,-16.08,;42.74,-14.73,;41.96,-13.41,;42.71,-12.07,;44.25,-12.05,;44.99,-10.71,;45.04,-13.36,;44.3,-14.71,;45.1,-16.03,;44.33,-17.38,;45.12,-18.7,;44.36,-20.05,;45.15,-21.37,;42.82,-20.07,;42.04,-18.74,;42.79,-17.4,;42.5,-26.65,;42.51,-28.19,;43.83,-25.88,)| Show InChI InChI=1S/C102H149N25O24/c1-13-15-25-67(118-93(144)73(46-53(3)4)121-91(142)71(38-41-79(105)132)120-96(147)83(55(7)14-2)125-92(143)72(39-42-80(133)134)124-99(150)102(11,12)127-97(148)82(54(5)6)126-98(149)101(9,10)109)88(139)123-75(48-58-51-110-52-113-58)95(146)119-70(37-40-78(104)131)90(141)117-69(28-22-45-112-100(107)108)87(138)114-56(8)85(136)116-68(27-18-20-43-103)89(140)122-74(47-57-29-31-59(128)32-30-57)94(145)115-66(84(106)135)26-19-21-44-111-86(137)63-24-17-16-23-62(63)81-64-35-33-60(129)49-76(64)151-77-50-61(130)34-36-65(77)81/h16-17,23-24,29-36,49-56,66-75,82-83,128-129H,13-15,18-22,25-28,37-48,103,109H2,1-12H3,(H2,104,131)(H2,105,132)(H2,106,135)(H,110,113)(H,111,137)(H,114,138)(H,115,145)(H,116,136)(H,117,141)(H,118,144)(H,119,146)(H,120,147)(H,121,142)(H,122,140)(H,123,139)(H,124,150)(H,125,143)(H,126,149)(H,127,148)(H,133,134)(H4,107,108,112)/t55-,56-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,82-,83-/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 | 20 | n/a | n/a | n/a | n/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 | |
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