Found 2 hits Enz. Inhib. hit(s) with Target = 'IgG receptor FcRn large subunit p51' and Ligand = 'BDBM50270827' 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 |
|---|
IgG receptor FcRn large subunit p51
(Homo sapiens (Human)) | BDBM50270827
(CHEMBL505899)Show SMILES CC(C)C[C@H](NC(=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](CCCN=C(N)N)NC(=O)[C@@H](N)CCC(N)=O)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)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O |r,wU:89.91,104.109,129.135,72.75,28.36,50.60,4.4,42.44,114.118,83.87,wD:61.71,17.25,46.48,108.112,(32.33,1.5,;32.33,-.04,;33.66,-.81,;31,-.81,;31,-2.35,;29.66,-3.12,;28.33,-2.35,;28.33,-.8,;27,-3.12,;25.67,-2.35,;25.67,-.81,;24.34,-3.13,;24.34,-4.67,;23,-2.36,;21.67,-3.13,;20.33,-2.36,;20.33,-.81,;19,-3.13,;19,-4.67,;20.33,-5.44,;21.66,-4.67,;22.99,-5.44,;23,-6.98,;21.67,-7.75,;20.33,-6.99,;17.67,-2.36,;16.34,-3.14,;16.34,-4.68,;15.01,-2.37,;15.01,-.82,;16.34,-.06,;17.75,-.69,;18.78,.46,;18,1.79,;16.49,1.47,;13.66,-3.12,;12.32,-2.36,;12.32,-.81,;10.98,-3.13,;9.65,-2.36,;8.32,-3.13,;8.32,-4.66,;6.98,-2.35,;5.65,-3.12,;4.32,-2.35,;4.32,-.81,;2.99,-3.13,;1.65,-2.36,;.33,-3.14,;.33,-4.68,;-1.01,-2.37,;-1.01,-.82,;.33,-.06,;1.67,-.83,;3,-.06,;2.99,1.49,;1.65,2.25,;.33,1.47,;-2.35,-3.13,;-3.68,-2.36,;-3.68,-.82,;-5.01,-3.13,;-5.01,-4.67,;-3.68,-5.44,;-3.68,-6.98,;-2.35,-7.74,;-2.34,-9.28,;-3.68,-10.05,;-1.01,-10.05,;-6.34,-2.35,;-7.65,-3.15,;-7.65,-4.69,;-8.98,-2.38,;-10.33,-3.12,;-8.98,-.83,;-7.65,-.07,;-7.65,1.48,;-8.99,2.24,;-6.32,2.24,;2.99,-4.66,;4.53,-4.67,;1.44,-4.65,;2.99,-6.21,;6.98,-.81,;5.65,-.04,;8.32,-.04,;32.33,-3.13,;32.33,-4.66,;33.66,-2.35,;34.99,-3.13,;36.33,-2.35,;36.33,-.81,;35,-.05,;35,1.49,;36.33,2.27,;36.33,3.81,;37.67,1.5,;37.68,-.03,;34.99,-4.66,;33.66,-5.43,;36.33,-5.43,;37.9,-4.91,;38.93,-6.24,;37.98,-7.62,;36.57,-6.94,;35.35,-7.87,;33.93,-7.26,;35.33,-9.41,;33.99,-10.18,;32.67,-9.39,;31.32,-10.15,;33.98,-11.71,;35.3,-12.5,;32.63,-12.46,;32.62,-14,;33.94,-14.78,;33.93,-16.32,;32.59,-17.06,;35.26,-17.1,;31.28,-14.75,;29.95,-13.97,;31.26,-16.29,;29.92,-17.04,;29.91,-18.58,;31.24,-19.37,;28.57,-19.34,;28.24,-21,;26.58,-21.21,;25.87,-19.69,;27.15,-18.83,;26.97,-17.3,;25.54,-16.71,;28.18,-16.36,)| Show InChI InChI=1S/C85H122N24O22S2/c1-45(2)32-54(75(122)103-59(35-49-23-25-51(111)26-24-49)82(129)109-31-14-21-61(109)79(126)104-60(43-132)78(125)102-58(37-64(88)113)73(120)95-41-68(117)108-30-15-22-62(108)83(130)131)98-66(115)42-107(6)67(116)40-94-72(119)55(33-47-16-9-7-10-17-47)100-76(123)57(36-50-38-91-44-96-50)97-65(114)39-93-80(127)69(46(3)110)105-81(128)70(85(4,5)133)106-77(124)56(34-48-18-11-8-12-19-48)101-74(121)53(20-13-29-92-84(89)90)99-71(118)52(86)27-28-63(87)112/h7-12,16-19,23-26,38,44-46,52-62,69-70,110-111,132-133H,13-15,20-22,27-37,39-43,86H2,1-6H3,(H2,87,112)(H2,88,113)(H,91,96)(H,93,127)(H,94,119)(H,95,120)(H,97,114)(H,98,115)(H,99,118)(H,100,123)(H,101,121)(H,102,125)(H,103,122)(H,104,126)(H,105,128)(H,106,124)(H,130,131)(H4,89,90,92)/t46-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,69+,70-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50270827
(CHEMBL505899)Show SMILES CC(C)C[C@H](NC(=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](CCCN=C(N)N)NC(=O)[C@@H](N)CCC(N)=O)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)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O |r,wU:89.91,104.109,129.135,72.75,28.36,50.60,4.4,42.44,114.118,83.87,wD:61.71,17.25,46.48,108.112,(32.33,1.5,;32.33,-.04,;33.66,-.81,;31,-.81,;31,-2.35,;29.66,-3.12,;28.33,-2.35,;28.33,-.8,;27,-3.12,;25.67,-2.35,;25.67,-.81,;24.34,-3.13,;24.34,-4.67,;23,-2.36,;21.67,-3.13,;20.33,-2.36,;20.33,-.81,;19,-3.13,;19,-4.67,;20.33,-5.44,;21.66,-4.67,;22.99,-5.44,;23,-6.98,;21.67,-7.75,;20.33,-6.99,;17.67,-2.36,;16.34,-3.14,;16.34,-4.68,;15.01,-2.37,;15.01,-.82,;16.34,-.06,;17.75,-.69,;18.78,.46,;18,1.79,;16.49,1.47,;13.66,-3.12,;12.32,-2.36,;12.32,-.81,;10.98,-3.13,;9.65,-2.36,;8.32,-3.13,;8.32,-4.66,;6.98,-2.35,;5.65,-3.12,;4.32,-2.35,;4.32,-.81,;2.99,-3.13,;1.65,-2.36,;.33,-3.14,;.33,-4.68,;-1.01,-2.37,;-1.01,-.82,;.33,-.06,;1.67,-.83,;3,-.06,;2.99,1.49,;1.65,2.25,;.33,1.47,;-2.35,-3.13,;-3.68,-2.36,;-3.68,-.82,;-5.01,-3.13,;-5.01,-4.67,;-3.68,-5.44,;-3.68,-6.98,;-2.35,-7.74,;-2.34,-9.28,;-3.68,-10.05,;-1.01,-10.05,;-6.34,-2.35,;-7.65,-3.15,;-7.65,-4.69,;-8.98,-2.38,;-10.33,-3.12,;-8.98,-.83,;-7.65,-.07,;-7.65,1.48,;-8.99,2.24,;-6.32,2.24,;2.99,-4.66,;4.53,-4.67,;1.44,-4.65,;2.99,-6.21,;6.98,-.81,;5.65,-.04,;8.32,-.04,;32.33,-3.13,;32.33,-4.66,;33.66,-2.35,;34.99,-3.13,;36.33,-2.35,;36.33,-.81,;35,-.05,;35,1.49,;36.33,2.27,;36.33,3.81,;37.67,1.5,;37.68,-.03,;34.99,-4.66,;33.66,-5.43,;36.33,-5.43,;37.9,-4.91,;38.93,-6.24,;37.98,-7.62,;36.57,-6.94,;35.35,-7.87,;33.93,-7.26,;35.33,-9.41,;33.99,-10.18,;32.67,-9.39,;31.32,-10.15,;33.98,-11.71,;35.3,-12.5,;32.63,-12.46,;32.62,-14,;33.94,-14.78,;33.93,-16.32,;32.59,-17.06,;35.26,-17.1,;31.28,-14.75,;29.95,-13.97,;31.26,-16.29,;29.92,-17.04,;29.91,-18.58,;31.24,-19.37,;28.57,-19.34,;28.24,-21,;26.58,-21.21,;25.87,-19.69,;27.15,-18.83,;26.97,-17.3,;25.54,-16.71,;28.18,-16.36,)| Show InChI InChI=1S/C85H122N24O22S2/c1-45(2)32-54(75(122)103-59(35-49-23-25-51(111)26-24-49)82(129)109-31-14-21-61(109)79(126)104-60(43-132)78(125)102-58(37-64(88)113)73(120)95-41-68(117)108-30-15-22-62(108)83(130)131)98-66(115)42-107(6)67(116)40-94-72(119)55(33-47-16-9-7-10-17-47)100-76(123)57(36-50-38-91-44-96-50)97-65(114)39-93-80(127)69(46(3)110)105-81(128)70(85(4,5)133)106-77(124)56(34-48-18-11-8-12-19-48)101-74(121)53(20-13-29-92-84(89)90)99-71(118)52(86)27-28-63(87)112/h7-12,16-19,23-26,38,44-46,52-62,69-70,110-111,132-133H,13-15,20-22,27-37,39-43,86H2,1-6H3,(H2,87,112)(H2,88,113)(H,91,96)(H,93,127)(H,94,119)(H,95,120)(H,97,114)(H,98,115)(H,99,118)(H,100,123)(H,101,121)(H,102,125)(H,103,122)(H,104,126)(H,105,128)(H,106,124)(H,130,131)(H4,89,90,92)/t46-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,69+,70-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 110 | n/a | n/a | n/a | 6.0 | n/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 | |
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