Found 2 hits Enz. Inhib. hit(s) with Target = 'IgG receptor FcRn large subunit p51' and Ligand = 'BDBM50270891' 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)) | BDBM50270891
(CHEMBL506623)Show SMILES CC(C)C[C@H](N(C)C(=O)CNC(=O)[C@@H](Cc1ccccc1)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:68.79,53.56,24.33,115.120,13.21,(34.57,1.35,;34.57,-.19,;35.91,-.96,;33.24,-.96,;33.24,-2.5,;31.91,-3.27,;31.91,-4.81,;30.57,-2.5,;30.57,-.96,;29.24,-3.27,;27.9,-2.5,;26.57,-3.27,;26.57,-4.81,;25.23,-2.5,;25.24,-.96,;26.57,-.2,;27.9,-.98,;29.23,-.21,;29.24,1.33,;27.9,2.1,;26.57,1.33,;23.9,-3.26,;22.57,-2.5,;22.57,-.96,;21.24,-3.27,;21.24,-4.81,;22.57,-5.58,;23.89,-4.81,;25.23,-5.58,;25.23,-7.11,;23.9,-7.89,;22.57,-7.13,;19.9,-2.5,;18.57,-3.27,;18.57,-4.81,;17.24,-2.5,;17.24,-.96,;18.57,-.19,;19.99,-.82,;21,.33,;20.23,1.66,;18.73,1.33,;15.9,-3.27,;14.56,-2.5,;14.56,-.96,;13.24,-3.27,;11.9,-2.5,;10.56,-3.27,;10.56,-4.81,;9.24,-2.5,;7.9,-3.27,;6.56,-2.5,;6.56,-.96,;5.23,-3.27,;3.9,-2.5,;2.56,-3.27,;2.56,-4.81,;1.23,-2.5,;1.23,-.96,;2.56,-.19,;3.91,-.96,;5.23,-.19,;5.22,1.35,;3.89,2.11,;2.56,1.33,;-.1,-3.27,;-1.44,-2.5,;-1.44,-.96,;-2.77,-3.27,;-2.77,-4.81,;-1.44,-5.58,;-1.44,-7.12,;-.1,-7.89,;-.1,-9.43,;-1.44,-10.2,;1.23,-10.2,;-4.1,-2.5,;-5.44,-3.27,;-5.44,-4.81,;-6.77,-2.5,;-8.11,-3.27,;-6.77,-.96,;-5.44,-.19,;-5.44,1.35,;-6.77,2.12,;-4.1,2.12,;5.23,-4.81,;6.77,-4.81,;3.69,-4.81,;5.23,-6.35,;9.24,-.96,;7.9,-.19,;10.56,-.19,;34.57,-3.27,;34.57,-4.81,;35.91,-2.5,;37.24,-3.27,;38.57,-2.5,;38.57,-.96,;37.26,-.19,;37.25,1.34,;38.57,2.12,;38.57,3.66,;39.91,1.35,;39.91,-.18,;37.24,-4.81,;35.91,-5.58,;38.57,-5.58,;40.14,-5.05,;41.16,-6.38,;40.21,-7.76,;38.82,-7.08,;37.59,-8.01,;36.17,-7.41,;37.78,-9.53,;36.55,-10.46,;35.13,-9.86,;33.9,-10.78,;36.73,-11.99,;38.14,-12.59,;35.5,-12.92,;35.69,-14.44,;37.1,-15.04,;37.29,-16.57,;36.06,-17.5,;38.71,-17.18,;34.45,-15.37,;33.04,-14.76,;34.64,-16.9,;33.41,-17.83,;33.59,-19.35,;35.01,-19.95,;32.37,-20.28,;32.26,-21.95,;30.64,-22.38,;29.73,-20.97,;30.89,-19.95,;30.52,-18.46,;29.03,-18.06,;31.61,-17.37,)| Show InChI InChI=1S/C92H128N24O22S2/c1-50(2)37-69(86(133)110-65(41-55-28-30-57(118)31-29-55)89(136)116-36-17-26-67(116)85(132)111-66(48-139)84(131)109-64(43-71(95)120)79(126)102-47-74(123)115-35-18-27-68(115)90(137)138)114(6)73(122)46-101-78(125)60(38-52-19-10-7-11-20-52)106-81(128)61(39-53-21-12-8-13-22-53)108-82(129)63(42-56-44-98-49-103-56)104-72(121)45-100-87(134)75(51(3)117)112-88(135)76(92(4,5)140)113-83(130)62(40-54-23-14-9-15-24-54)107-80(127)59(25-16-34-99-91(96)97)105-77(124)58(93)32-33-70(94)119/h7-15,19-24,28-31,44,49-51,58-69,75-76,117-118,139-140H,16-18,25-27,32-43,45-48,93H2,1-6H3,(H2,94,119)(H2,95,120)(H,98,103)(H,100,134)(H,101,125)(H,102,126)(H,104,121)(H,105,124)(H,106,128)(H,107,127)(H,108,129)(H,109,131)(H,110,133)(H,111,132)(H,112,135)(H,113,130)(H,137,138)(H4,96,97,99)/t51-,58+,59+,60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,75+,76-/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 | 1.30E+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)) | BDBM50270891
(CHEMBL506623)Show SMILES CC(C)C[C@H](N(C)C(=O)CNC(=O)[C@@H](Cc1ccccc1)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:68.79,53.56,24.33,115.120,13.21,(34.57,1.35,;34.57,-.19,;35.91,-.96,;33.24,-.96,;33.24,-2.5,;31.91,-3.27,;31.91,-4.81,;30.57,-2.5,;30.57,-.96,;29.24,-3.27,;27.9,-2.5,;26.57,-3.27,;26.57,-4.81,;25.23,-2.5,;25.24,-.96,;26.57,-.2,;27.9,-.98,;29.23,-.21,;29.24,1.33,;27.9,2.1,;26.57,1.33,;23.9,-3.26,;22.57,-2.5,;22.57,-.96,;21.24,-3.27,;21.24,-4.81,;22.57,-5.58,;23.89,-4.81,;25.23,-5.58,;25.23,-7.11,;23.9,-7.89,;22.57,-7.13,;19.9,-2.5,;18.57,-3.27,;18.57,-4.81,;17.24,-2.5,;17.24,-.96,;18.57,-.19,;19.99,-.82,;21,.33,;20.23,1.66,;18.73,1.33,;15.9,-3.27,;14.56,-2.5,;14.56,-.96,;13.24,-3.27,;11.9,-2.5,;10.56,-3.27,;10.56,-4.81,;9.24,-2.5,;7.9,-3.27,;6.56,-2.5,;6.56,-.96,;5.23,-3.27,;3.9,-2.5,;2.56,-3.27,;2.56,-4.81,;1.23,-2.5,;1.23,-.96,;2.56,-.19,;3.91,-.96,;5.23,-.19,;5.22,1.35,;3.89,2.11,;2.56,1.33,;-.1,-3.27,;-1.44,-2.5,;-1.44,-.96,;-2.77,-3.27,;-2.77,-4.81,;-1.44,-5.58,;-1.44,-7.12,;-.1,-7.89,;-.1,-9.43,;-1.44,-10.2,;1.23,-10.2,;-4.1,-2.5,;-5.44,-3.27,;-5.44,-4.81,;-6.77,-2.5,;-8.11,-3.27,;-6.77,-.96,;-5.44,-.19,;-5.44,1.35,;-6.77,2.12,;-4.1,2.12,;5.23,-4.81,;6.77,-4.81,;3.69,-4.81,;5.23,-6.35,;9.24,-.96,;7.9,-.19,;10.56,-.19,;34.57,-3.27,;34.57,-4.81,;35.91,-2.5,;37.24,-3.27,;38.57,-2.5,;38.57,-.96,;37.26,-.19,;37.25,1.34,;38.57,2.12,;38.57,3.66,;39.91,1.35,;39.91,-.18,;37.24,-4.81,;35.91,-5.58,;38.57,-5.58,;40.14,-5.05,;41.16,-6.38,;40.21,-7.76,;38.82,-7.08,;37.59,-8.01,;36.17,-7.41,;37.78,-9.53,;36.55,-10.46,;35.13,-9.86,;33.9,-10.78,;36.73,-11.99,;38.14,-12.59,;35.5,-12.92,;35.69,-14.44,;37.1,-15.04,;37.29,-16.57,;36.06,-17.5,;38.71,-17.18,;34.45,-15.37,;33.04,-14.76,;34.64,-16.9,;33.41,-17.83,;33.59,-19.35,;35.01,-19.95,;32.37,-20.28,;32.26,-21.95,;30.64,-22.38,;29.73,-20.97,;30.89,-19.95,;30.52,-18.46,;29.03,-18.06,;31.61,-17.37,)| Show InChI InChI=1S/C92H128N24O22S2/c1-50(2)37-69(86(133)110-65(41-55-28-30-57(118)31-29-55)89(136)116-36-17-26-67(116)85(132)111-66(48-139)84(131)109-64(43-71(95)120)79(126)102-47-74(123)115-35-18-27-68(115)90(137)138)114(6)73(122)46-101-78(125)60(38-52-19-10-7-11-20-52)106-81(128)61(39-53-21-12-8-13-22-53)108-82(129)63(42-56-44-98-49-103-56)104-72(121)45-100-87(134)75(51(3)117)112-88(135)76(92(4,5)140)113-83(130)62(40-54-23-14-9-15-24-54)107-80(127)59(25-16-34-99-91(96)97)105-77(124)58(93)32-33-70(94)119/h7-15,19-24,28-31,44,49-51,58-69,75-76,117-118,139-140H,16-18,25-27,32-43,45-48,93H2,1-6H3,(H2,94,119)(H2,95,120)(H,98,103)(H,100,134)(H,101,125)(H,102,126)(H,104,121)(H,105,124)(H,106,128)(H,107,127)(H,108,129)(H,109,131)(H,110,133)(H,111,132)(H,112,135)(H,113,130)(H,137,138)(H4,96,97,99)/t51-,58+,59+,60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,75+,76-/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 | 240 | 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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