Found 2 hits Enz. Inhib. hit(s) with Target = 'IgG receptor FcRn large subunit p51' and Ligand = 'BDBM50270886' 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)) | BDBM50270886
(CHEMBL525018)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C)NC(=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:73.76,51.61,43.45,84.88,29.37,4.4,90.92,105.110,115.119,130.136,8.8,wD:62.72,47.49,18.26,109.113,13.13,(35.68,-24.03,;35.68,-25.57,;37.02,-26.34,;34.35,-26.34,;34.35,-27.88,;33.02,-28.65,;31.68,-27.88,;31.68,-26.34,;30.35,-28.65,;30.35,-30.19,;29.02,-27.88,;27.68,-28.65,;27.68,-30.19,;26.35,-27.88,;26.35,-26.34,;25.01,-28.64,;23.68,-27.88,;23.68,-26.34,;22.35,-28.65,;22.35,-30.19,;23.68,-30.96,;25,-30.19,;26.34,-30.96,;26.34,-32.49,;25.02,-33.27,;23.68,-32.5,;21.01,-27.88,;19.68,-28.65,;19.68,-30.19,;18.35,-27.88,;18.35,-26.34,;19.68,-25.57,;21.1,-26.19,;22.12,-25.05,;21.34,-23.72,;19.84,-24.05,;17.01,-28.65,;15.68,-27.88,;15.68,-26.34,;14.35,-28.65,;13.01,-27.88,;11.68,-28.65,;11.68,-30.19,;10.35,-27.88,;9.01,-28.65,;7.67,-27.88,;7.67,-26.34,;6.35,-28.65,;5.01,-27.88,;3.67,-28.65,;3.67,-30.19,;2.35,-27.88,;2.35,-26.34,;3.67,-25.57,;5.02,-26.34,;6.34,-25.57,;6.34,-24.03,;5.01,-23.27,;3.67,-24.05,;1.01,-28.65,;-.33,-27.88,;-.33,-26.34,;-1.66,-28.65,;-1.66,-30.19,;-.33,-30.96,;-.33,-32.5,;1.01,-33.27,;1.01,-34.81,;-.33,-35.58,;2.35,-35.58,;-2.99,-27.88,;-4.33,-28.65,;-4.33,-30.19,;-5.66,-27.88,;-6.99,-28.65,;-5.66,-26.34,;-4.33,-25.57,;-4.33,-24.03,;-5.66,-23.26,;-2.99,-23.26,;6.35,-30.19,;7.89,-30.19,;4.81,-30.19,;6.35,-31.73,;10.35,-26.34,;9.01,-25.57,;11.68,-25.57,;35.68,-28.65,;35.68,-30.19,;37.02,-27.88,;38.35,-28.65,;39.68,-27.88,;39.68,-26.34,;38.37,-25.57,;38.36,-24.04,;39.68,-23.26,;39.68,-21.72,;41.02,-24.03,;41.02,-25.56,;38.35,-30.19,;37.02,-30.96,;39.68,-30.96,;41.25,-30.43,;42.28,-31.76,;41.33,-33.14,;39.93,-32.46,;38.7,-33.39,;37.28,-32.78,;38.89,-34.91,;37.66,-35.84,;36.24,-35.24,;35.01,-36.16,;37.84,-37.37,;39.26,-37.97,;36.61,-38.3,;36.8,-39.82,;38.22,-40.42,;38.4,-41.95,;37.17,-42.88,;39.82,-42.56,;35.57,-40.75,;34.15,-40.14,;35.75,-42.28,;34.53,-43.2,;34.71,-44.73,;36.12,-45.33,;33.48,-45.66,;33.37,-47.33,;31.75,-47.76,;30.85,-46.35,;32.01,-45.33,;31.63,-43.84,;30.14,-43.44,;32.72,-42.75,)| Show InChI InChI=1S/C86H124N24O22S2/c1-44(2)33-55(76(123)105-60(36-50-24-26-52(112)27-25-50)83(130)110-32-15-22-62(110)80(127)106-61(42-133)79(126)104-59(38-65(89)114)73(120)95-41-67(116)109-31-16-23-63(109)84(131)132)101-71(118)46(4)97-70(117)45(3)98-75(122)56(34-48-17-10-8-11-18-48)103-77(124)58(37-51-39-92-43-96-51)99-66(115)40-94-81(128)68(47(5)111)107-82(129)69(86(6,7)134)108-78(125)57(35-49-19-12-9-13-20-49)102-74(121)54(21-14-30-93-85(90)91)100-72(119)53(87)28-29-64(88)113/h8-13,17-20,24-27,39,43-47,53-63,68-69,111-112,133-134H,14-16,21-23,28-38,40-42,87H2,1-7H3,(H2,88,113)(H2,89,114)(H,92,96)(H,94,128)(H,95,120)(H,97,117)(H,98,122)(H,99,115)(H,100,119)(H,101,118)(H,102,121)(H,103,124)(H,104,126)(H,105,123)(H,106,127)(H,107,129)(H,108,125)(H,131,132)(H4,90,91,93)/t45-,46-,47-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,68+,69-/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 | 4.50E+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)) | BDBM50270886
(CHEMBL525018)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C)NC(=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:73.76,51.61,43.45,84.88,29.37,4.4,90.92,105.110,115.119,130.136,8.8,wD:62.72,47.49,18.26,109.113,13.13,(35.68,-24.03,;35.68,-25.57,;37.02,-26.34,;34.35,-26.34,;34.35,-27.88,;33.02,-28.65,;31.68,-27.88,;31.68,-26.34,;30.35,-28.65,;30.35,-30.19,;29.02,-27.88,;27.68,-28.65,;27.68,-30.19,;26.35,-27.88,;26.35,-26.34,;25.01,-28.64,;23.68,-27.88,;23.68,-26.34,;22.35,-28.65,;22.35,-30.19,;23.68,-30.96,;25,-30.19,;26.34,-30.96,;26.34,-32.49,;25.02,-33.27,;23.68,-32.5,;21.01,-27.88,;19.68,-28.65,;19.68,-30.19,;18.35,-27.88,;18.35,-26.34,;19.68,-25.57,;21.1,-26.19,;22.12,-25.05,;21.34,-23.72,;19.84,-24.05,;17.01,-28.65,;15.68,-27.88,;15.68,-26.34,;14.35,-28.65,;13.01,-27.88,;11.68,-28.65,;11.68,-30.19,;10.35,-27.88,;9.01,-28.65,;7.67,-27.88,;7.67,-26.34,;6.35,-28.65,;5.01,-27.88,;3.67,-28.65,;3.67,-30.19,;2.35,-27.88,;2.35,-26.34,;3.67,-25.57,;5.02,-26.34,;6.34,-25.57,;6.34,-24.03,;5.01,-23.27,;3.67,-24.05,;1.01,-28.65,;-.33,-27.88,;-.33,-26.34,;-1.66,-28.65,;-1.66,-30.19,;-.33,-30.96,;-.33,-32.5,;1.01,-33.27,;1.01,-34.81,;-.33,-35.58,;2.35,-35.58,;-2.99,-27.88,;-4.33,-28.65,;-4.33,-30.19,;-5.66,-27.88,;-6.99,-28.65,;-5.66,-26.34,;-4.33,-25.57,;-4.33,-24.03,;-5.66,-23.26,;-2.99,-23.26,;6.35,-30.19,;7.89,-30.19,;4.81,-30.19,;6.35,-31.73,;10.35,-26.34,;9.01,-25.57,;11.68,-25.57,;35.68,-28.65,;35.68,-30.19,;37.02,-27.88,;38.35,-28.65,;39.68,-27.88,;39.68,-26.34,;38.37,-25.57,;38.36,-24.04,;39.68,-23.26,;39.68,-21.72,;41.02,-24.03,;41.02,-25.56,;38.35,-30.19,;37.02,-30.96,;39.68,-30.96,;41.25,-30.43,;42.28,-31.76,;41.33,-33.14,;39.93,-32.46,;38.7,-33.39,;37.28,-32.78,;38.89,-34.91,;37.66,-35.84,;36.24,-35.24,;35.01,-36.16,;37.84,-37.37,;39.26,-37.97,;36.61,-38.3,;36.8,-39.82,;38.22,-40.42,;38.4,-41.95,;37.17,-42.88,;39.82,-42.56,;35.57,-40.75,;34.15,-40.14,;35.75,-42.28,;34.53,-43.2,;34.71,-44.73,;36.12,-45.33,;33.48,-45.66,;33.37,-47.33,;31.75,-47.76,;30.85,-46.35,;32.01,-45.33,;31.63,-43.84,;30.14,-43.44,;32.72,-42.75,)| Show InChI InChI=1S/C86H124N24O22S2/c1-44(2)33-55(76(123)105-60(36-50-24-26-52(112)27-25-50)83(130)110-32-15-22-62(110)80(127)106-61(42-133)79(126)104-59(38-65(89)114)73(120)95-41-67(116)109-31-16-23-63(109)84(131)132)101-71(118)46(4)97-70(117)45(3)98-75(122)56(34-48-17-10-8-11-18-48)103-77(124)58(37-51-39-92-43-96-51)99-66(115)40-94-81(128)68(47(5)111)107-82(129)69(86(6,7)134)108-78(125)57(35-49-19-12-9-13-20-49)102-74(121)54(21-14-30-93-85(90)91)100-72(119)53(87)28-29-64(88)113/h8-13,17-20,24-27,39,43-47,53-63,68-69,111-112,133-134H,14-16,21-23,28-38,40-42,87H2,1-7H3,(H2,88,113)(H2,89,114)(H,92,96)(H,94,128)(H,95,120)(H,97,117)(H,98,122)(H,99,115)(H,100,119)(H,101,118)(H,102,121)(H,103,124)(H,104,126)(H,105,123)(H,106,127)(H,107,129)(H,108,125)(H,131,132)(H4,90,91,93)/t45-,46-,47-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,68+,69-/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 | 450 | 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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