Found 2 hits Enz. Inhib. hit(s) with Target = 'IgG receptor FcRn large subunit p51' and Ligand = 'BDBM50270896' 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)) | BDBM50270896
(CHEMBL525636)Show SMILES CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@@H](C)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:73.76,51.61,43.45,84.88,29.37,90.92,105.110,115.119,130.136,4.4,wD:62.72,47.49,18.26,109.113,13.13,(35.06,-25.73,;35.05,-27.27,;36.38,-28.04,;33.72,-28.03,;33.71,-29.57,;32.38,-30.33,;31.04,-29.56,;31.04,-28.02,;29.71,-30.33,;28.38,-29.56,;28.38,-28.02,;27.04,-30.33,;27.04,-31.87,;25.71,-29.57,;25.71,-28.03,;24.38,-30.33,;23.04,-29.56,;23.04,-28.02,;21.71,-30.33,;21.71,-31.87,;23.04,-32.64,;24.36,-31.88,;25.7,-32.64,;25.7,-34.18,;24.38,-34.96,;23.04,-34.19,;20.38,-29.56,;19.04,-30.33,;19.04,-31.87,;17.71,-29.56,;17.71,-28.02,;19.04,-27.25,;20.46,-27.88,;21.48,-26.73,;20.7,-25.41,;19.2,-25.74,;16.38,-30.33,;15.04,-29.56,;15.04,-28.02,;13.71,-30.33,;12.37,-29.56,;11.04,-30.33,;11.04,-31.87,;9.71,-29.56,;8.37,-30.33,;7.04,-29.56,;7.04,-28.02,;5.71,-30.33,;4.37,-29.56,;3.04,-30.33,;3.04,-31.87,;1.71,-29.56,;1.71,-28.02,;3.04,-27.25,;4.38,-28.02,;5.7,-27.25,;5.7,-25.72,;4.37,-24.96,;3.04,-25.73,;.37,-30.33,;-.97,-29.56,;-.97,-28.02,;-2.29,-30.33,;-2.29,-31.87,;-.97,-32.64,;-.97,-34.18,;.37,-34.95,;.37,-36.49,;-.97,-37.26,;1.71,-37.26,;-3.63,-29.56,;-4.97,-30.33,;-4.97,-31.87,;-6.29,-29.56,;-7.63,-30.33,;-6.29,-28.02,;-4.97,-27.25,;-4.97,-25.71,;-6.29,-24.94,;-3.63,-24.94,;5.71,-31.87,;7.25,-31.87,;4.17,-31.87,;5.71,-33.41,;9.71,-28.02,;8.37,-27.25,;11.04,-27.25,;35.04,-30.33,;35.04,-31.87,;36.38,-29.56,;37.72,-30.33,;39.05,-29.56,;39.05,-28.02,;37.73,-27.26,;37.72,-25.73,;39.05,-24.95,;39.05,-23.41,;40.38,-25.71,;40.39,-27.25,;37.72,-31.87,;36.38,-32.64,;39.05,-32.64,;40.61,-32.11,;41.64,-33.45,;40.69,-34.83,;39.3,-34.15,;38.06,-35.08,;36.65,-34.47,;38.25,-36.6,;37.02,-37.53,;35.61,-36.92,;34.37,-37.85,;37.2,-39.06,;38.62,-39.66,;35.97,-39.98,;36.16,-41.51,;37.58,-42.11,;37.77,-43.64,;36.53,-44.57,;39.18,-44.25,;34.93,-42.43,;33.51,-41.83,;35.12,-43.97,;33.89,-44.89,;34.07,-46.42,;35.48,-47.02,;32.84,-47.34,;32.73,-49.02,;31.12,-49.45,;30.21,-48.04,;31.37,-47.02,;30.99,-45.53,;29.5,-45.12,;32.08,-44.44,)| Show InChI InChI=1S/C86H124N24O22S2/c1-45(2)33-55(75(122)104-60(36-50-24-26-52(112)27-25-50)83(130)110-32-15-22-62(110)79(126)105-61(43-133)78(125)103-59(38-65(89)114)72(119)95-41-68(117)109-31-16-23-63(109)84(131)132)99-67(116)42-108(7)82(129)46(3)97-74(121)56(34-48-17-10-8-11-18-48)102-76(123)58(37-51-39-92-44-96-51)98-66(115)40-94-80(127)69(47(4)111)106-81(128)70(86(5,6)134)107-77(124)57(35-49-19-12-9-13-20-49)101-73(120)54(21-14-30-93-85(90)91)100-71(118)53(87)28-29-64(88)113/h8-13,17-20,24-27,39,44-47,53-63,69-70,111-112,133-134H,14-16,21-23,28-38,40-43,87H2,1-7H3,(H2,88,113)(H2,89,114)(H,92,96)(H,94,127)(H,95,119)(H,97,121)(H,98,115)(H,99,116)(H,100,118)(H,101,120)(H,102,123)(H,103,125)(H,104,122)(H,105,126)(H,106,128)(H,107,124)(H,131,132)(H4,90,91,93)/t46-,47-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,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 | 1.70E+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)) | BDBM50270896
(CHEMBL525636)Show SMILES CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@@H](C)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:73.76,51.61,43.45,84.88,29.37,90.92,105.110,115.119,130.136,4.4,wD:62.72,47.49,18.26,109.113,13.13,(35.06,-25.73,;35.05,-27.27,;36.38,-28.04,;33.72,-28.03,;33.71,-29.57,;32.38,-30.33,;31.04,-29.56,;31.04,-28.02,;29.71,-30.33,;28.38,-29.56,;28.38,-28.02,;27.04,-30.33,;27.04,-31.87,;25.71,-29.57,;25.71,-28.03,;24.38,-30.33,;23.04,-29.56,;23.04,-28.02,;21.71,-30.33,;21.71,-31.87,;23.04,-32.64,;24.36,-31.88,;25.7,-32.64,;25.7,-34.18,;24.38,-34.96,;23.04,-34.19,;20.38,-29.56,;19.04,-30.33,;19.04,-31.87,;17.71,-29.56,;17.71,-28.02,;19.04,-27.25,;20.46,-27.88,;21.48,-26.73,;20.7,-25.41,;19.2,-25.74,;16.38,-30.33,;15.04,-29.56,;15.04,-28.02,;13.71,-30.33,;12.37,-29.56,;11.04,-30.33,;11.04,-31.87,;9.71,-29.56,;8.37,-30.33,;7.04,-29.56,;7.04,-28.02,;5.71,-30.33,;4.37,-29.56,;3.04,-30.33,;3.04,-31.87,;1.71,-29.56,;1.71,-28.02,;3.04,-27.25,;4.38,-28.02,;5.7,-27.25,;5.7,-25.72,;4.37,-24.96,;3.04,-25.73,;.37,-30.33,;-.97,-29.56,;-.97,-28.02,;-2.29,-30.33,;-2.29,-31.87,;-.97,-32.64,;-.97,-34.18,;.37,-34.95,;.37,-36.49,;-.97,-37.26,;1.71,-37.26,;-3.63,-29.56,;-4.97,-30.33,;-4.97,-31.87,;-6.29,-29.56,;-7.63,-30.33,;-6.29,-28.02,;-4.97,-27.25,;-4.97,-25.71,;-6.29,-24.94,;-3.63,-24.94,;5.71,-31.87,;7.25,-31.87,;4.17,-31.87,;5.71,-33.41,;9.71,-28.02,;8.37,-27.25,;11.04,-27.25,;35.04,-30.33,;35.04,-31.87,;36.38,-29.56,;37.72,-30.33,;39.05,-29.56,;39.05,-28.02,;37.73,-27.26,;37.72,-25.73,;39.05,-24.95,;39.05,-23.41,;40.38,-25.71,;40.39,-27.25,;37.72,-31.87,;36.38,-32.64,;39.05,-32.64,;40.61,-32.11,;41.64,-33.45,;40.69,-34.83,;39.3,-34.15,;38.06,-35.08,;36.65,-34.47,;38.25,-36.6,;37.02,-37.53,;35.61,-36.92,;34.37,-37.85,;37.2,-39.06,;38.62,-39.66,;35.97,-39.98,;36.16,-41.51,;37.58,-42.11,;37.77,-43.64,;36.53,-44.57,;39.18,-44.25,;34.93,-42.43,;33.51,-41.83,;35.12,-43.97,;33.89,-44.89,;34.07,-46.42,;35.48,-47.02,;32.84,-47.34,;32.73,-49.02,;31.12,-49.45,;30.21,-48.04,;31.37,-47.02,;30.99,-45.53,;29.5,-45.12,;32.08,-44.44,)| Show InChI InChI=1S/C86H124N24O22S2/c1-45(2)33-55(75(122)104-60(36-50-24-26-52(112)27-25-50)83(130)110-32-15-22-62(110)79(126)105-61(43-133)78(125)103-59(38-65(89)114)72(119)95-41-68(117)109-31-16-23-63(109)84(131)132)99-67(116)42-108(7)82(129)46(3)97-74(121)56(34-48-17-10-8-11-18-48)102-76(123)58(37-51-39-92-44-96-51)98-66(115)40-94-80(127)69(47(4)111)106-81(128)70(86(5,6)134)107-77(124)57(35-49-19-12-9-13-20-49)101-73(120)54(21-14-30-93-85(90)91)100-71(118)53(87)28-29-64(88)113/h8-13,17-20,24-27,39,44-47,53-63,69-70,111-112,133-134H,14-16,21-23,28-38,40-43,87H2,1-7H3,(H2,88,113)(H2,89,114)(H,92,96)(H,94,127)(H,95,119)(H,97,121)(H,98,115)(H,99,116)(H,100,118)(H,101,120)(H,102,123)(H,103,125)(H,104,122)(H,105,126)(H,106,128)(H,107,124)(H,131,132)(H4,90,91,93)/t46-,47-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,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 | 190 | 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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