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BDBM50203783 CHEMBL262316::LPNYNWNSFLRF-NH2

SMILES: CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=MTMJZYFKFYKGGP-OSYMYGHISA-N

Data: 1 KI  1 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 2 hits for monomerid = 50203783   
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
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50203783
PNG
(CHEMBL262316 | LPNYNWNSFLRF-NH2)
Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:83.87,58.61,4.4,72.75,36.37,12.13,102.106,wD:91.95,66.69,24.24,16.16,44.45,(-20.28,-19.15,;-20.26,-20.69,;-21.58,-21.47,;-18.91,-21.43,;-18.9,-22.99,;-20.24,-23.76,;-17.57,-23.76,;-17.57,-25.3,;-16.25,-22.99,;-15.77,-21.53,;-14.22,-21.54,;-13.74,-22.99,;-14.99,-23.9,;-14.99,-25.44,;-16.34,-26.21,;-13.67,-26.22,;-13.67,-27.76,;-15,-28.52,;-15,-30.06,;-13.68,-30.84,;-16.33,-30.83,;-12.34,-28.53,;-12.34,-30.07,;-10.99,-27.76,;-9.66,-28.53,;-9.66,-30.07,;-8.33,-30.84,;-8.33,-32.38,;-7.01,-33.15,;-5.66,-32.38,;-4.33,-33.15,;-5.67,-30.83,;-6.99,-30.07,;-8.32,-27.76,;-8.32,-26.22,;-6.99,-28.53,;-5.66,-27.77,;-5.66,-26.23,;-4.32,-25.46,;-2.99,-26.23,;-4.32,-23.92,;-4.32,-28.54,;-4.33,-30.08,;-2.99,-27.77,;-1.65,-28.54,;-1.66,-30.08,;-.33,-30.85,;.93,-29.86,;2.16,-30.85,;1.68,-32.32,;2.44,-33.63,;1.68,-34.96,;.14,-34.96,;-.62,-33.63,;.15,-32.31,;-.32,-27.77,;-.32,-26.23,;1.01,-28.54,;2.35,-27.77,;2.35,-26.23,;3.68,-25.47,;5.02,-26.24,;3.68,-23.93,;3.67,-28.55,;3.67,-30.09,;5.01,-27.78,;6.34,-28.55,;6.34,-30.09,;7.68,-30.86,;7.68,-27.78,;7.68,-26.24,;9.01,-28.55,;10.34,-27.78,;10.35,-26.24,;11.68,-25.48,;13,-26.26,;14.34,-25.5,;14.35,-23.96,;13.01,-23.18,;11.68,-23.94,;11.68,-28.56,;11.68,-30.1,;13,-27.79,;14.33,-28.59,;15.67,-27.84,;16.99,-28.63,;18.34,-27.88,;16.97,-30.17,;14.3,-30.13,;12.95,-30.87,;15.62,-30.92,;15.59,-32.46,;14.25,-33.21,;14.22,-34.75,;12.88,-35.5,;12.85,-37.03,;11.5,-37.78,;11.48,-39.32,;10.18,-36.99,;16.92,-33.26,;18.26,-32.51,;16.89,-34.79,;18.21,-35.58,;19.55,-34.83,;20.87,-35.63,;20.84,-37.16,;22.16,-37.95,;23.51,-37.21,;23.53,-35.66,;22.21,-34.87,;18.18,-37.13,;19.5,-37.91,;16.84,-37.87,)|
Show InChI InChI=1S/C76H104N20O17/c1-40(2)29-48(77)75(113)96-28-14-22-60(96)74(112)94-58(37-63(80)101)71(109)89-54(33-44-23-25-46(98)26-24-44)68(106)92-56(35-61(78)99)70(108)91-55(34-45-38-85-49-20-12-11-19-47(45)49)69(107)93-57(36-62(79)100)72(110)95-59(39-97)73(111)90-53(32-43-17-9-6-10-18-43)67(105)88-52(30-41(3)4)66(104)86-50(21-13-27-84-76(82)83)65(103)87-51(64(81)102)31-42-15-7-5-8-16-42/h5-12,15-20,23-26,38,40-41,48,50-60,85,97-98H,13-14,21-22,27-37,39,77H2,1-4H3,(H2,78,99)(H2,79,100)(H2,80,101)(H2,81,102)(H,86,104)(H,87,103)(H,88,105)(H,89,109)(H,90,111)(H,91,108)(H,92,106)(H,93,107)(H,94,112)(H,95,110)(H4,82,83,84)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
Reactome pathway
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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [125]metastin from metastin receptor


J Med Chem 50: 462-71 (2007)


Article DOI: 10.1021/jm0609824
BindingDB Entry DOI: 10.7270/Q2HT2P0K
More data for this
Ligand-Target Pair
G-protein Coupled Receptor 54


(Homo sapiens (Human))
BDBM50203783
PNG
(CHEMBL262316 | LPNYNWNSFLRF-NH2)
Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:83.87,58.61,4.4,72.75,36.37,12.13,102.106,wD:91.95,66.69,24.24,16.16,44.45,(-20.28,-19.15,;-20.26,-20.69,;-21.58,-21.47,;-18.91,-21.43,;-18.9,-22.99,;-20.24,-23.76,;-17.57,-23.76,;-17.57,-25.3,;-16.25,-22.99,;-15.77,-21.53,;-14.22,-21.54,;-13.74,-22.99,;-14.99,-23.9,;-14.99,-25.44,;-16.34,-26.21,;-13.67,-26.22,;-13.67,-27.76,;-15,-28.52,;-15,-30.06,;-13.68,-30.84,;-16.33,-30.83,;-12.34,-28.53,;-12.34,-30.07,;-10.99,-27.76,;-9.66,-28.53,;-9.66,-30.07,;-8.33,-30.84,;-8.33,-32.38,;-7.01,-33.15,;-5.66,-32.38,;-4.33,-33.15,;-5.67,-30.83,;-6.99,-30.07,;-8.32,-27.76,;-8.32,-26.22,;-6.99,-28.53,;-5.66,-27.77,;-5.66,-26.23,;-4.32,-25.46,;-2.99,-26.23,;-4.32,-23.92,;-4.32,-28.54,;-4.33,-30.08,;-2.99,-27.77,;-1.65,-28.54,;-1.66,-30.08,;-.33,-30.85,;.93,-29.86,;2.16,-30.85,;1.68,-32.32,;2.44,-33.63,;1.68,-34.96,;.14,-34.96,;-.62,-33.63,;.15,-32.31,;-.32,-27.77,;-.32,-26.23,;1.01,-28.54,;2.35,-27.77,;2.35,-26.23,;3.68,-25.47,;5.02,-26.24,;3.68,-23.93,;3.67,-28.55,;3.67,-30.09,;5.01,-27.78,;6.34,-28.55,;6.34,-30.09,;7.68,-30.86,;7.68,-27.78,;7.68,-26.24,;9.01,-28.55,;10.34,-27.78,;10.35,-26.24,;11.68,-25.48,;13,-26.26,;14.34,-25.5,;14.35,-23.96,;13.01,-23.18,;11.68,-23.94,;11.68,-28.56,;11.68,-30.1,;13,-27.79,;14.33,-28.59,;15.67,-27.84,;16.99,-28.63,;18.34,-27.88,;16.97,-30.17,;14.3,-30.13,;12.95,-30.87,;15.62,-30.92,;15.59,-32.46,;14.25,-33.21,;14.22,-34.75,;12.88,-35.5,;12.85,-37.03,;11.5,-37.78,;11.48,-39.32,;10.18,-36.99,;16.92,-33.26,;18.26,-32.51,;16.89,-34.79,;18.21,-35.58,;19.55,-34.83,;20.87,-35.63,;20.84,-37.16,;22.16,-37.95,;23.51,-37.21,;23.53,-35.66,;22.21,-34.87,;18.18,-37.13,;19.5,-37.91,;16.84,-37.87,)|
Show InChI InChI=1S/C76H104N20O17/c1-40(2)29-48(77)75(113)96-28-14-22-60(96)74(112)94-58(37-63(80)101)71(109)89-54(33-44-23-25-46(98)26-24-44)68(106)92-56(35-61(78)99)70(108)91-55(34-45-38-85-49-20-12-11-19-47(45)49)69(107)93-57(36-62(79)100)72(110)95-59(39-97)73(111)90-53(32-43-17-9-6-10-18-43)67(105)88-52(30-41(3)4)66(104)86-50(21-13-27-84-76(82)83)65(103)87-51(64(81)102)31-42-15-7-5-8-16-42/h5-12,15-20,23-26,38,40-41,48,50-60,85,97-98H,13-14,21-22,27-37,39,77H2,1-4H3,(H2,78,99)(H2,79,100)(H2,80,101)(H2,81,102)(H,86,104)(H,87,103)(H,88,105)(H,89,109)(H,90,111)(H,91,108)(H,92,106)(H,93,107)(H,94,112)(H,95,110)(H4,82,83,84)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



University of Minnesota Health Science Center

Curated by ChEMBL


Assay Description
Activity at metastin receptor expressed in HEK293 cells by measuring calcium release


J Med Chem 50: 462-71 (2007)


Article DOI: 10.1021/jm0609824
BindingDB Entry DOI: 10.7270/Q2HT2P0K
More data for this
Ligand-Target Pair