Found 2 hits Enz. Inhib. hit(s) with Target = 'IgG receptor FcRn large subunit p51' and Ligand = 'BDBM50270882' 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)) | BDBM50270882
(CHEMBL526187)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=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:79.83,57.68,49.52,90.95,35.44,4.4,96.99,111.117,121.126,136.143,wD:68.79,53.56,24.33,115.120,12.21,(35.7,-26.65,;35.7,-28.19,;37.03,-28.96,;34.37,-28.96,;34.37,-30.5,;33.03,-31.27,;31.7,-30.5,;31.7,-28.96,;30.37,-31.27,;29.03,-30.5,;27.7,-31.27,;27.7,-32.81,;26.36,-30.5,;26.37,-28.96,;27.7,-28.2,;29.03,-28.98,;30.36,-28.21,;30.37,-26.67,;31.7,-25.9,;29.02,-25.9,;27.7,-26.67,;25.03,-31.26,;23.69,-30.5,;23.69,-28.96,;22.37,-31.27,;22.37,-32.81,;23.69,-33.58,;25.02,-32.81,;26.35,-33.58,;26.36,-35.11,;25.03,-35.89,;23.69,-35.13,;21.03,-30.5,;19.69,-31.27,;19.69,-32.81,;18.37,-30.5,;18.37,-28.96,;19.69,-28.19,;21.11,-28.82,;22.13,-27.67,;21.35,-26.34,;19.86,-26.67,;17.03,-31.27,;15.69,-30.5,;15.69,-28.96,;14.36,-31.27,;13.03,-30.5,;11.69,-31.27,;11.69,-32.81,;10.36,-30.5,;9.03,-31.27,;7.69,-30.5,;7.69,-28.96,;6.36,-31.27,;5.03,-30.5,;3.69,-31.27,;3.69,-32.81,;2.36,-30.5,;2.36,-28.96,;3.69,-28.19,;5.04,-28.96,;6.36,-28.19,;6.35,-26.65,;5.02,-25.89,;3.69,-26.67,;1.02,-31.27,;-.31,-30.5,;-.31,-28.96,;-1.64,-31.27,;-1.64,-32.81,;-.31,-33.58,;-.31,-35.12,;1.02,-35.89,;1.02,-37.43,;-.31,-38.2,;2.36,-38.2,;-2.98,-30.5,;-4.31,-31.27,;-4.31,-32.81,;-5.64,-30.5,;-6.98,-31.27,;-5.64,-28.96,;-4.31,-28.19,;-4.31,-26.65,;-5.64,-25.88,;-2.98,-25.88,;6.36,-32.81,;7.9,-32.81,;4.82,-32.81,;6.36,-34.35,;10.36,-28.96,;9.03,-28.19,;11.69,-28.19,;35.7,-31.27,;35.7,-32.81,;37.03,-30.5,;38.37,-31.27,;39.7,-30.5,;39.7,-28.96,;38.39,-28.19,;38.37,-26.66,;39.7,-25.88,;39.7,-24.34,;41.04,-26.65,;41.04,-28.18,;38.37,-32.81,;37.03,-33.58,;39.7,-33.58,;41.27,-33.05,;42.29,-34.38,;41.34,-35.76,;39.95,-35.08,;38.72,-36.01,;37.3,-35.41,;38.9,-37.53,;37.68,-38.46,;36.26,-37.86,;35.02,-38.78,;37.86,-39.99,;39.27,-40.59,;36.63,-40.92,;36.82,-42.44,;38.23,-43.04,;38.42,-44.57,;37.18,-45.5,;39.83,-45.18,;35.58,-43.37,;34.17,-42.76,;35.77,-44.9,;34.54,-45.83,;34.72,-47.35,;36.14,-47.95,;33.49,-48.28,;33.38,-49.95,;31.77,-50.38,;30.86,-48.97,;32.02,-47.95,;31.65,-46.46,;30.15,-46.06,;32.74,-45.37,)| Show InChI InChI=1S/C91H126N24O23S2/c1-48(2)35-59(80(128)110-65(39-53-24-28-56(118)29-25-53)88(136)115-34-13-20-67(115)85(133)111-66(46-139)84(132)109-64(41-70(94)120)78(126)101-45-73(123)114-33-14-21-68(114)89(137)138)103-71(121)43-99-77(125)60(38-52-22-26-55(117)27-23-52)106-81(129)61(36-50-15-8-6-9-16-50)108-82(130)63(40-54-42-97-47-102-54)104-72(122)44-100-86(134)74(49(3)116)112-87(135)75(91(4,5)140)113-83(131)62(37-51-17-10-7-11-18-51)107-79(127)58(19-12-32-98-90(95)96)105-76(124)57(92)30-31-69(93)119/h6-11,15-18,22-29,42,47-49,57-68,74-75,116-118,139-140H,12-14,19-21,30-41,43-46,92H2,1-5H3,(H2,93,119)(H2,94,120)(H,97,102)(H,99,125)(H,100,134)(H,101,126)(H,103,121)(H,104,122)(H,105,124)(H,106,129)(H,107,127)(H,108,130)(H,109,132)(H,110,128)(H,111,133)(H,112,135)(H,113,131)(H,137,138)(H4,95,96,98)/t49-,57+,58+,59+,60-,61+,62+,63+,64+,65+,66+,67+,68+,74+,75-/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 | 3.20E+3 | 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)) | BDBM50270882
(CHEMBL526187)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=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:79.83,57.68,49.52,90.95,35.44,4.4,96.99,111.117,121.126,136.143,wD:68.79,53.56,24.33,115.120,12.21,(35.7,-26.65,;35.7,-28.19,;37.03,-28.96,;34.37,-28.96,;34.37,-30.5,;33.03,-31.27,;31.7,-30.5,;31.7,-28.96,;30.37,-31.27,;29.03,-30.5,;27.7,-31.27,;27.7,-32.81,;26.36,-30.5,;26.37,-28.96,;27.7,-28.2,;29.03,-28.98,;30.36,-28.21,;30.37,-26.67,;31.7,-25.9,;29.02,-25.9,;27.7,-26.67,;25.03,-31.26,;23.69,-30.5,;23.69,-28.96,;22.37,-31.27,;22.37,-32.81,;23.69,-33.58,;25.02,-32.81,;26.35,-33.58,;26.36,-35.11,;25.03,-35.89,;23.69,-35.13,;21.03,-30.5,;19.69,-31.27,;19.69,-32.81,;18.37,-30.5,;18.37,-28.96,;19.69,-28.19,;21.11,-28.82,;22.13,-27.67,;21.35,-26.34,;19.86,-26.67,;17.03,-31.27,;15.69,-30.5,;15.69,-28.96,;14.36,-31.27,;13.03,-30.5,;11.69,-31.27,;11.69,-32.81,;10.36,-30.5,;9.03,-31.27,;7.69,-30.5,;7.69,-28.96,;6.36,-31.27,;5.03,-30.5,;3.69,-31.27,;3.69,-32.81,;2.36,-30.5,;2.36,-28.96,;3.69,-28.19,;5.04,-28.96,;6.36,-28.19,;6.35,-26.65,;5.02,-25.89,;3.69,-26.67,;1.02,-31.27,;-.31,-30.5,;-.31,-28.96,;-1.64,-31.27,;-1.64,-32.81,;-.31,-33.58,;-.31,-35.12,;1.02,-35.89,;1.02,-37.43,;-.31,-38.2,;2.36,-38.2,;-2.98,-30.5,;-4.31,-31.27,;-4.31,-32.81,;-5.64,-30.5,;-6.98,-31.27,;-5.64,-28.96,;-4.31,-28.19,;-4.31,-26.65,;-5.64,-25.88,;-2.98,-25.88,;6.36,-32.81,;7.9,-32.81,;4.82,-32.81,;6.36,-34.35,;10.36,-28.96,;9.03,-28.19,;11.69,-28.19,;35.7,-31.27,;35.7,-32.81,;37.03,-30.5,;38.37,-31.27,;39.7,-30.5,;39.7,-28.96,;38.39,-28.19,;38.37,-26.66,;39.7,-25.88,;39.7,-24.34,;41.04,-26.65,;41.04,-28.18,;38.37,-32.81,;37.03,-33.58,;39.7,-33.58,;41.27,-33.05,;42.29,-34.38,;41.34,-35.76,;39.95,-35.08,;38.72,-36.01,;37.3,-35.41,;38.9,-37.53,;37.68,-38.46,;36.26,-37.86,;35.02,-38.78,;37.86,-39.99,;39.27,-40.59,;36.63,-40.92,;36.82,-42.44,;38.23,-43.04,;38.42,-44.57,;37.18,-45.5,;39.83,-45.18,;35.58,-43.37,;34.17,-42.76,;35.77,-44.9,;34.54,-45.83,;34.72,-47.35,;36.14,-47.95,;33.49,-48.28,;33.38,-49.95,;31.77,-50.38,;30.86,-48.97,;32.02,-47.95,;31.65,-46.46,;30.15,-46.06,;32.74,-45.37,)| Show InChI InChI=1S/C91H126N24O23S2/c1-48(2)35-59(80(128)110-65(39-53-24-28-56(118)29-25-53)88(136)115-34-13-20-67(115)85(133)111-66(46-139)84(132)109-64(41-70(94)120)78(126)101-45-73(123)114-33-14-21-68(114)89(137)138)103-71(121)43-99-77(125)60(38-52-22-26-55(117)27-23-52)106-81(129)61(36-50-15-8-6-9-16-50)108-82(130)63(40-54-42-97-47-102-54)104-72(122)44-100-86(134)74(49(3)116)112-87(135)75(91(4,5)140)113-83(131)62(37-51-17-10-7-11-18-51)107-79(127)58(19-12-32-98-90(95)96)105-76(124)57(92)30-31-69(93)119/h6-11,15-18,22-29,42,47-49,57-68,74-75,116-118,139-140H,12-14,19-21,30-41,43-46,92H2,1-5H3,(H2,93,119)(H2,94,120)(H,97,102)(H,99,125)(H,100,134)(H,101,126)(H,103,121)(H,104,122)(H,105,124)(H,106,129)(H,107,127)(H,108,130)(H,109,132)(H,110,128)(H,111,133)(H,112,135)(H,113,131)(H,137,138)(H4,95,96,98)/t49-,57+,58+,59+,60-,61+,62+,63+,64+,65+,66+,67+,68+,74+,75-/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 | 320 | 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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