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BDBM50269977 Aib-Val-Aib-Glu-lle-Gln-Leu-Nle-His-Gln-Arg-Ala-Lys-Tyr-Fly::CHEMBL525069

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

InChI Key: InChIKey=SNIKCWZBFIUTKN-ZCLCOPHFSA-N

Data: 1 IC50  2 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 3 hits for monomerid = 50269977   
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))
BDBM50269977
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(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O
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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 98.2n/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
Parathyroid hormone receptor


(Homo sapiens (Human))
BDBM50269977
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(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O
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
GoogleScholar
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 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))
BDBM50269977
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(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O
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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 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