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BDBM50270938 4-[(2S)-2-{2-[(2S,3R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-methyl-3-sulfanylbutanamido]-3-hydroxybutanamido]acetamido}-2-{[(1S)-1-({[({[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-carbamoyl-2-sulfanylethyl]carbamoyl}pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}-3-methylbutyl](methyl)carbamoyl}methyl)(methyl)carbamoyl]methyl}carbamoyl)-2-phenylethyl]carbamoyl}ethyl]-3-methyl-1,3-thiazol-3-ium::CHEMBL506195

SMILES: [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7](-[#6])-[#6](=O)-[#6]-[#7](-[#6])-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1csc[n+]1-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])C([#6])([#6])[#16])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](-[#7])=O

InChI Key: InChIKey=UUUMCMHCHPLAPZ-PMHNZZKJSA-O

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 = 50270938   
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))
BDBM50270938
PNG
(4-[(2S)-2-{2-[(2S,3R)-2-[(2R)-2-[(2S)-2-[(2S)-2-am...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7](-[#6])-[#6](=O)-[#6]-[#7](-[#6])-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1csc[n+]1-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])C([#6])([#6])[#16])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C71H102N18O15S3/c1-40(2)29-54(66(101)82-51(32-44-23-25-46(91)26-24-44)69(104)89-28-16-22-53(89)65(100)83-52(37-105)60(73)95)88(8)57(94)36-86(6)56(93)35-78-62(97)48(30-42-17-11-9-12-18-42)81-63(98)50(33-45-38-107-39-87(45)7)79-55(92)34-77-67(102)58(41(3)90)84-68(103)59(71(4,5)106)85-64(99)49(31-43-19-13-10-14-20-43)80-61(96)47(72)21-15-27-76-70(74)75/h9-14,17-20,23-26,38-41,47-54,58-59,90H,15-16,21-22,27-37,72H2,1-8H3,(H17-,73,74,75,76,77,78,79,80,81,82,83,84,85,91,92,95,96,97,98,99,100,101,102,103,105,106)/p+1/t41-,47+,48+,49+,50+,51+,52+,53+,54+,58+,59-/m1/s1
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UniProtKB/TrEMBL

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Article
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n/an/an/a 110n/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
IgG receptor FcRn large subunit p51


(Homo sapiens (Human))
BDBM50270938
PNG
(4-[(2S)-2-{2-[(2S,3R)-2-[(2R)-2-[(2S)-2-[(2S)-2-am...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7](-[#6])-[#6](=O)-[#6]-[#7](-[#6])-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1csc[n+]1-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])C([#6])([#6])[#16])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C71H102N18O15S3/c1-40(2)29-54(66(101)82-51(32-44-23-25-46(91)26-24-44)69(104)89-28-16-22-53(89)65(100)83-52(37-105)60(73)95)88(8)57(94)36-86(6)56(93)35-78-62(97)48(30-42-17-11-9-12-18-42)81-63(98)50(33-45-38-107-39-87(45)7)79-55(92)34-77-67(102)58(41(3)90)84-68(103)59(71(4,5)106)85-64(99)49(31-43-19-13-10-14-20-43)80-61(96)47(72)21-15-27-76-70(74)75/h9-14,17-20,23-26,38-41,47-54,58-59,90H,15-16,21-22,27-37,72H2,1-8H3,(H17-,73,74,75,76,77,78,79,80,81,82,83,84,85,91,92,95,96,97,98,99,100,101,102,103,105,106)/p+1/t41-,47+,48+,49+,50+,51+,52+,53+,54+,58+,59-/m1/s1
PDB
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/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))
BDBM50270938
PNG
(4-[(2S)-2-{2-[(2S,3R)-2-[(2R)-2-[(2S)-2-[(2S)-2-am...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7](-[#6])-[#6](=O)-[#6]-[#7](-[#6])-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1csc[n+]1-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])C([#6])([#6])[#16])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C71H102N18O15S3/c1-40(2)29-54(66(101)82-51(32-44-23-25-46(91)26-24-44)69(104)89-28-16-22-53(89)65(100)83-52(37-105)60(73)95)88(8)57(94)36-86(6)56(93)35-78-62(97)48(30-42-17-11-9-12-18-42)81-63(98)50(33-45-38-107-39-87(45)7)79-55(92)34-77-67(102)58(41(3)90)84-68(103)59(71(4,5)106)85-64(99)49(31-43-19-13-10-14-20-43)80-61(96)47(72)21-15-27-76-70(74)75/h9-14,17-20,23-26,38-41,47-54,58-59,90H,15-16,21-22,27-37,72H2,1-8H3,(H17-,73,74,75,76,77,78,79,80,81,82,83,84,85,91,92,95,96,97,98,99,100,101,102,103,105,106)/p+1/t41-,47+,48+,49+,50+,51+,52+,53+,54+,58+,59-/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 110n/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