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BDBM50270987 CHEMBL443697::SYN-1327

SMILES: CC(C)C[C@H](N(C)C(=O)CN(C)C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCN=C(N)N)C(C)(C)S)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(O)=O

InChI Key: InChIKey=AJONUWHGRIXLLX-SCOIVGQKSA-N

Data: 1 IC50  2 Kd

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 = 50270987   
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
IgG receptor FcRn large subunit p51


(Homo sapiens (Human))
BDBM50270987
PNG
(CHEMBL443697 | SYN-1327)
Show SMILES CC(C)C[C@H](N(C)C(=O)CN(C)C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCN=C(N)N)C(C)(C)S)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(O)=O |r,wU:81.83,96.101,29.37,51.61,4.4,43.45,75.79,wD:62.65,18.26,47.49,100.104,(28.79,-21.8,;28.79,-23.34,;30.13,-24.11,;27.46,-24.11,;27.46,-25.65,;26.12,-26.42,;26.13,-27.96,;24.79,-25.65,;24.79,-24.1,;23.46,-26.42,;22.13,-25.65,;22.13,-24.11,;20.8,-26.43,;20.8,-27.96,;19.46,-25.66,;18.13,-26.42,;16.79,-25.66,;16.79,-24.11,;15.46,-26.43,;15.46,-27.97,;16.79,-28.74,;18.12,-27.97,;19.45,-28.74,;19.46,-30.27,;18.13,-31.05,;16.79,-30.29,;14.13,-25.66,;12.8,-26.44,;12.8,-27.98,;11.47,-25.67,;11.47,-24.12,;12.8,-23.36,;14.21,-23.99,;15.24,-22.84,;14.46,-21.51,;12.96,-21.83,;10.12,-26.42,;8.78,-25.66,;8.78,-24.11,;7.45,-26.43,;6.11,-25.65,;4.78,-26.43,;4.78,-27.96,;3.44,-25.65,;2.11,-26.42,;.78,-25.65,;.78,-24.11,;-.55,-26.43,;-1.88,-25.66,;-3.21,-26.44,;-3.21,-27.98,;-4.55,-25.67,;-4.55,-24.12,;-3.21,-23.36,;-1.87,-24.13,;-.54,-23.36,;-.54,-21.81,;-1.89,-21.05,;-3.21,-21.83,;-5.89,-26.43,;-7.22,-25.66,;-7.22,-24.12,;-8.55,-26.43,;-9.88,-25.65,;-8.55,-27.97,;-7.22,-28.74,;-7.22,-30.28,;-5.89,-31.04,;-5.87,-32.58,;-7.22,-33.35,;-4.55,-33.35,;-.55,-27.96,;.99,-27.97,;-2.1,-27.95,;-.55,-29.51,;3.44,-24.11,;2.12,-23.34,;4.78,-23.34,;28.79,-26.42,;28.79,-27.96,;30.13,-25.65,;31.45,-26.42,;32.79,-25.65,;32.79,-24.11,;31.47,-23.35,;31.46,-21.81,;32.79,-21.03,;32.79,-19.49,;34.13,-21.8,;34.14,-23.33,;31.45,-27.96,;30.13,-28.73,;32.79,-28.73,;34.36,-28.21,;35.39,-29.54,;34.44,-30.92,;33.04,-30.24,;31.81,-31.16,;30.39,-30.56,;31.79,-32.7,;30.45,-33.47,;29.13,-32.69,;27.78,-33.45,;30.44,-35.01,;29.1,-35.76,;31.76,-35.8,)|
Show InChI InChI=1S/C70H100N18O16S2/c1-39(2)28-53(64(99)82-50(31-43-22-24-45(90)25-23-43)67(102)88-27-15-21-52(88)63(98)83-51(37-105)68(103)104)87(7)56(93)36-86(6)55(92)35-77-60(95)47(29-41-16-10-8-11-17-41)81-61(96)49(32-44-33-74-38-78-44)79-54(91)34-76-65(100)57(40(3)89)84-66(101)58(70(4,5)106)85-62(97)48(30-42-18-12-9-13-19-42)80-59(94)46(71)20-14-26-75-69(72)73/h8-13,16-19,22-25,33,38-40,46-53,57-58,89-90,105-106H,14-15,20-21,26-32,34-37,71H2,1-7H3,(H,74,78)(H,76,100)(H,77,95)(H,79,91)(H,80,94)(H,81,96)(H,82,99)(H,83,98)(H,84,101)(H,85,97)(H,103,104)(H4,72,73,75)/t40-,46+,47+,48+,49+,50+,51+,52+,53+,57+,58-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Syntonix Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human IgG binding to soluble human FcRn by ELISA


Bioorg Med Chem 16: 6394-405 (2008)


Article DOI: 10.1016/j.bmc.2008.05.004
BindingDB Entry DOI: 10.7270/Q2QV3M9C
More data for this
Ligand-Target Pair
IgG receptor FcRn large subunit p51


(Homo sapiens (Human))
BDBM50270987
PNG
(CHEMBL443697 | SYN-1327)
Show SMILES CC(C)C[C@H](N(C)C(=O)CN(C)C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCN=C(N)N)C(C)(C)S)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(O)=O |r,wU:81.83,96.101,29.37,51.61,4.4,43.45,75.79,wD:62.65,18.26,47.49,100.104,(28.79,-21.8,;28.79,-23.34,;30.13,-24.11,;27.46,-24.11,;27.46,-25.65,;26.12,-26.42,;26.13,-27.96,;24.79,-25.65,;24.79,-24.1,;23.46,-26.42,;22.13,-25.65,;22.13,-24.11,;20.8,-26.43,;20.8,-27.96,;19.46,-25.66,;18.13,-26.42,;16.79,-25.66,;16.79,-24.11,;15.46,-26.43,;15.46,-27.97,;16.79,-28.74,;18.12,-27.97,;19.45,-28.74,;19.46,-30.27,;18.13,-31.05,;16.79,-30.29,;14.13,-25.66,;12.8,-26.44,;12.8,-27.98,;11.47,-25.67,;11.47,-24.12,;12.8,-23.36,;14.21,-23.99,;15.24,-22.84,;14.46,-21.51,;12.96,-21.83,;10.12,-26.42,;8.78,-25.66,;8.78,-24.11,;7.45,-26.43,;6.11,-25.65,;4.78,-26.43,;4.78,-27.96,;3.44,-25.65,;2.11,-26.42,;.78,-25.65,;.78,-24.11,;-.55,-26.43,;-1.88,-25.66,;-3.21,-26.44,;-3.21,-27.98,;-4.55,-25.67,;-4.55,-24.12,;-3.21,-23.36,;-1.87,-24.13,;-.54,-23.36,;-.54,-21.81,;-1.89,-21.05,;-3.21,-21.83,;-5.89,-26.43,;-7.22,-25.66,;-7.22,-24.12,;-8.55,-26.43,;-9.88,-25.65,;-8.55,-27.97,;-7.22,-28.74,;-7.22,-30.28,;-5.89,-31.04,;-5.87,-32.58,;-7.22,-33.35,;-4.55,-33.35,;-.55,-27.96,;.99,-27.97,;-2.1,-27.95,;-.55,-29.51,;3.44,-24.11,;2.12,-23.34,;4.78,-23.34,;28.79,-26.42,;28.79,-27.96,;30.13,-25.65,;31.45,-26.42,;32.79,-25.65,;32.79,-24.11,;31.47,-23.35,;31.46,-21.81,;32.79,-21.03,;32.79,-19.49,;34.13,-21.8,;34.14,-23.33,;31.45,-27.96,;30.13,-28.73,;32.79,-28.73,;34.36,-28.21,;35.39,-29.54,;34.44,-30.92,;33.04,-30.24,;31.81,-31.16,;30.39,-30.56,;31.79,-32.7,;30.45,-33.47,;29.13,-32.69,;27.78,-33.45,;30.44,-35.01,;29.1,-35.76,;31.76,-35.8,)|
Show InChI InChI=1S/C70H100N18O16S2/c1-39(2)28-53(64(99)82-50(31-43-22-24-45(90)25-23-43)67(102)88-27-15-21-52(88)63(98)83-51(37-105)68(103)104)87(7)56(93)36-86(6)55(92)35-77-60(95)47(29-41-16-10-8-11-17-41)81-61(96)49(32-44-33-74-38-78-44)79-54(91)34-76-65(100)57(40(3)89)84-66(101)58(70(4,5)106)85-62(97)48(30-42-18-12-9-13-19-42)80-59(94)46(71)20-14-26-75-69(72)73/h8-13,16-19,22-25,33,38-40,46-53,57-58,89-90,105-106H,14-15,20-21,26-32,34-37,71H2,1-7H3,(H,74,78)(H,76,100)(H,77,95)(H,79,91)(H,80,94)(H,81,96)(H,82,99)(H,83,98)(H,84,101)(H,85,97)(H,103,104)(H4,72,73,75)/t40-,46+,47+,48+,49+,50+,51+,52+,53+,57+,58-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/a 170n/an/an/a7.4n/a



Syntonix Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human FcRn at pH 7.4 by surface plasmon resonance assay


Bioorg Med Chem 16: 6394-405 (2008)


Article DOI: 10.1016/j.bmc.2008.05.004
BindingDB Entry DOI: 10.7270/Q2QV3M9C
More data for this
Ligand-Target Pair
IgG receptor FcRn large subunit p51


(Homo sapiens (Human))
BDBM50270987
PNG
(CHEMBL443697 | SYN-1327)
Show SMILES CC(C)C[C@H](N(C)C(=O)CN(C)C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCN=C(N)N)C(C)(C)S)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(O)=O |r,wU:81.83,96.101,29.37,51.61,4.4,43.45,75.79,wD:62.65,18.26,47.49,100.104,(28.79,-21.8,;28.79,-23.34,;30.13,-24.11,;27.46,-24.11,;27.46,-25.65,;26.12,-26.42,;26.13,-27.96,;24.79,-25.65,;24.79,-24.1,;23.46,-26.42,;22.13,-25.65,;22.13,-24.11,;20.8,-26.43,;20.8,-27.96,;19.46,-25.66,;18.13,-26.42,;16.79,-25.66,;16.79,-24.11,;15.46,-26.43,;15.46,-27.97,;16.79,-28.74,;18.12,-27.97,;19.45,-28.74,;19.46,-30.27,;18.13,-31.05,;16.79,-30.29,;14.13,-25.66,;12.8,-26.44,;12.8,-27.98,;11.47,-25.67,;11.47,-24.12,;12.8,-23.36,;14.21,-23.99,;15.24,-22.84,;14.46,-21.51,;12.96,-21.83,;10.12,-26.42,;8.78,-25.66,;8.78,-24.11,;7.45,-26.43,;6.11,-25.65,;4.78,-26.43,;4.78,-27.96,;3.44,-25.65,;2.11,-26.42,;.78,-25.65,;.78,-24.11,;-.55,-26.43,;-1.88,-25.66,;-3.21,-26.44,;-3.21,-27.98,;-4.55,-25.67,;-4.55,-24.12,;-3.21,-23.36,;-1.87,-24.13,;-.54,-23.36,;-.54,-21.81,;-1.89,-21.05,;-3.21,-21.83,;-5.89,-26.43,;-7.22,-25.66,;-7.22,-24.12,;-8.55,-26.43,;-9.88,-25.65,;-8.55,-27.97,;-7.22,-28.74,;-7.22,-30.28,;-5.89,-31.04,;-5.87,-32.58,;-7.22,-33.35,;-4.55,-33.35,;-.55,-27.96,;.99,-27.97,;-2.1,-27.95,;-.55,-29.51,;3.44,-24.11,;2.12,-23.34,;4.78,-23.34,;28.79,-26.42,;28.79,-27.96,;30.13,-25.65,;31.45,-26.42,;32.79,-25.65,;32.79,-24.11,;31.47,-23.35,;31.46,-21.81,;32.79,-21.03,;32.79,-19.49,;34.13,-21.8,;34.14,-23.33,;31.45,-27.96,;30.13,-28.73,;32.79,-28.73,;34.36,-28.21,;35.39,-29.54,;34.44,-30.92,;33.04,-30.24,;31.81,-31.16,;30.39,-30.56,;31.79,-32.7,;30.45,-33.47,;29.13,-32.69,;27.78,-33.45,;30.44,-35.01,;29.1,-35.76,;31.76,-35.8,)|
Show InChI InChI=1S/C70H100N18O16S2/c1-39(2)28-53(64(99)82-50(31-43-22-24-45(90)25-23-43)67(102)88-27-15-21-52(88)63(98)83-51(37-105)68(103)104)87(7)56(93)36-86(6)55(92)35-77-60(95)47(29-41-16-10-8-11-17-41)81-61(96)49(32-44-33-74-38-78-44)79-54(91)34-76-65(100)57(40(3)89)84-66(101)58(70(4,5)106)85-62(97)48(30-42-18-12-9-13-19-42)80-59(94)46(71)20-14-26-75-69(72)73/h8-13,16-19,22-25,33,38-40,46-53,57-58,89-90,105-106H,14-15,20-21,26-32,34-37,71H2,1-7H3,(H,74,78)(H,76,100)(H,77,95)(H,79,91)(H,80,94)(H,81,96)(H,82,99)(H,83,98)(H,84,101)(H,85,97)(H,103,104)(H4,72,73,75)/t40-,46+,47+,48+,49+,50+,51+,52+,53+,57+,58-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/a 31n/an/an/a6.0n/a



Syntonix Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human FcRn at pH 6 by surface plasmon resonance assay


Bioorg Med Chem 16: 6394-405 (2008)


Article DOI: 10.1016/j.bmc.2008.05.004
BindingDB Entry DOI: 10.7270/Q2QV3M9C
More data for this
Ligand-Target Pair