Found 2 hits Enz. Inhib. hit(s) with Target = 'IgG receptor FcRn large subunit p51' and Ligand = 'BDBM50270885' 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)) | BDBM50270885
(CHEMBL508377)Show SMILES CC(C)C[C@H](NC(=O)CNC(=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:72.75,50.60,42.44,83.87,28.36,4.4,89.91,104.109,114.118,129.135,wD:61.71,46.48,17.25,108.112,12.12,(36.62,3.33,;36.62,1.79,;37.95,1.02,;35.29,1.02,;35.29,-.52,;33.95,-1.29,;32.61,-.52,;32.61,1.02,;31.29,-1.29,;29.95,-.52,;28.61,-1.29,;28.61,-2.83,;27.28,-.53,;27.28,1.01,;25.95,-1.29,;24.61,-.52,;24.61,1.02,;23.28,-1.29,;23.28,-2.83,;24.61,-3.6,;25.93,-2.84,;27.27,-3.6,;27.27,-5.14,;25.95,-5.91,;24.61,-5.15,;21.95,-.52,;20.61,-1.29,;20.61,-2.83,;19.28,-.52,;19.28,1.02,;20.61,1.79,;22.03,1.16,;23.05,2.31,;22.27,3.63,;20.77,3.31,;17.95,-1.29,;16.61,-.52,;16.61,1.02,;15.28,-1.29,;13.95,-.52,;12.61,-1.29,;12.61,-2.83,;11.28,-.52,;9.94,-1.29,;8.61,-.52,;8.61,1.02,;7.28,-1.29,;5.94,-.52,;4.61,-1.29,;4.61,-2.83,;3.28,-.52,;3.28,1.02,;4.61,1.79,;5.96,1.02,;7.27,1.79,;7.27,3.32,;5.94,4.09,;4.61,3.31,;1.94,-1.29,;.61,-.52,;.61,1.02,;-.72,-1.29,;-.72,-2.83,;.61,-3.6,;.61,-5.14,;1.94,-5.91,;1.94,-7.45,;.61,-8.22,;3.28,-8.22,;-2.06,-.52,;-3.4,-1.29,;-3.4,-2.83,;-4.72,-.52,;-6.06,-1.29,;-4.72,1.02,;-3.4,1.79,;-3.4,3.33,;-4.72,4.1,;-2.06,4.1,;7.28,-2.83,;8.82,-2.83,;5.74,-2.83,;7.28,-4.37,;11.28,1.02,;9.94,1.79,;12.61,1.79,;36.62,-1.29,;36.62,-2.83,;37.95,-.52,;39.29,-1.29,;40.62,-.52,;40.62,1.02,;39.3,1.78,;39.29,3.32,;40.62,4.09,;40.62,5.63,;41.95,3.33,;41.96,1.79,;39.29,-2.83,;37.95,-3.6,;40.62,-3.6,;42.18,-3.07,;43.21,-4.41,;42.26,-5.78,;40.87,-5.11,;39.63,-6.03,;38.22,-5.43,;39.82,-7.56,;38.59,-8.48,;37.18,-7.88,;35.94,-8.81,;38.77,-10.01,;40.19,-10.62,;37.55,-10.94,;37.73,-12.47,;39.15,-13.07,;39.34,-14.6,;38.1,-15.53,;40.75,-15.2,;36.5,-13.39,;35.08,-12.79,;36.69,-14.92,;35.46,-15.85,;35.64,-17.37,;37.05,-17.98,;34.41,-18.3,;34.3,-19.98,;32.69,-20.41,;31.78,-19,;32.94,-17.98,;32.56,-16.48,;31.07,-16.08,;33.65,-15.39,)| Show InChI InChI=1S/C85H122N24O22S2/c1-44(2)32-54(75(122)104-59(35-49-23-25-51(111)26-24-49)82(129)109-31-14-21-61(109)79(126)105-60(42-132)78(125)103-58(37-64(88)113)72(119)95-41-67(116)108-30-15-22-62(108)83(130)131)98-65(114)39-93-70(117)45(3)97-74(121)55(33-47-16-9-7-10-17-47)102-76(123)57(36-50-38-91-43-96-50)99-66(115)40-94-80(127)68(46(4)110)106-81(128)69(85(5,6)133)107-77(124)56(34-48-18-11-8-12-19-48)101-73(120)53(20-13-29-92-84(89)90)100-71(118)52(86)27-28-63(87)112/h7-12,16-19,23-26,38,43-46,52-62,68-69,110-111,132-133H,13-15,20-22,27-37,39-42,86H2,1-6H3,(H2,87,112)(H2,88,113)(H,91,96)(H,93,117)(H,94,127)(H,95,119)(H,97,121)(H,98,114)(H,99,115)(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,130,131)(H4,89,90,92)/t45-,46-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,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)) | BDBM50270885
(CHEMBL508377)Show SMILES CC(C)C[C@H](NC(=O)CNC(=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:72.75,50.60,42.44,83.87,28.36,4.4,89.91,104.109,114.118,129.135,wD:61.71,46.48,17.25,108.112,12.12,(36.62,3.33,;36.62,1.79,;37.95,1.02,;35.29,1.02,;35.29,-.52,;33.95,-1.29,;32.61,-.52,;32.61,1.02,;31.29,-1.29,;29.95,-.52,;28.61,-1.29,;28.61,-2.83,;27.28,-.53,;27.28,1.01,;25.95,-1.29,;24.61,-.52,;24.61,1.02,;23.28,-1.29,;23.28,-2.83,;24.61,-3.6,;25.93,-2.84,;27.27,-3.6,;27.27,-5.14,;25.95,-5.91,;24.61,-5.15,;21.95,-.52,;20.61,-1.29,;20.61,-2.83,;19.28,-.52,;19.28,1.02,;20.61,1.79,;22.03,1.16,;23.05,2.31,;22.27,3.63,;20.77,3.31,;17.95,-1.29,;16.61,-.52,;16.61,1.02,;15.28,-1.29,;13.95,-.52,;12.61,-1.29,;12.61,-2.83,;11.28,-.52,;9.94,-1.29,;8.61,-.52,;8.61,1.02,;7.28,-1.29,;5.94,-.52,;4.61,-1.29,;4.61,-2.83,;3.28,-.52,;3.28,1.02,;4.61,1.79,;5.96,1.02,;7.27,1.79,;7.27,3.32,;5.94,4.09,;4.61,3.31,;1.94,-1.29,;.61,-.52,;.61,1.02,;-.72,-1.29,;-.72,-2.83,;.61,-3.6,;.61,-5.14,;1.94,-5.91,;1.94,-7.45,;.61,-8.22,;3.28,-8.22,;-2.06,-.52,;-3.4,-1.29,;-3.4,-2.83,;-4.72,-.52,;-6.06,-1.29,;-4.72,1.02,;-3.4,1.79,;-3.4,3.33,;-4.72,4.1,;-2.06,4.1,;7.28,-2.83,;8.82,-2.83,;5.74,-2.83,;7.28,-4.37,;11.28,1.02,;9.94,1.79,;12.61,1.79,;36.62,-1.29,;36.62,-2.83,;37.95,-.52,;39.29,-1.29,;40.62,-.52,;40.62,1.02,;39.3,1.78,;39.29,3.32,;40.62,4.09,;40.62,5.63,;41.95,3.33,;41.96,1.79,;39.29,-2.83,;37.95,-3.6,;40.62,-3.6,;42.18,-3.07,;43.21,-4.41,;42.26,-5.78,;40.87,-5.11,;39.63,-6.03,;38.22,-5.43,;39.82,-7.56,;38.59,-8.48,;37.18,-7.88,;35.94,-8.81,;38.77,-10.01,;40.19,-10.62,;37.55,-10.94,;37.73,-12.47,;39.15,-13.07,;39.34,-14.6,;38.1,-15.53,;40.75,-15.2,;36.5,-13.39,;35.08,-12.79,;36.69,-14.92,;35.46,-15.85,;35.64,-17.37,;37.05,-17.98,;34.41,-18.3,;34.3,-19.98,;32.69,-20.41,;31.78,-19,;32.94,-17.98,;32.56,-16.48,;31.07,-16.08,;33.65,-15.39,)| Show InChI InChI=1S/C85H122N24O22S2/c1-44(2)32-54(75(122)104-59(35-49-23-25-51(111)26-24-49)82(129)109-31-14-21-61(109)79(126)105-60(42-132)78(125)103-58(37-64(88)113)72(119)95-41-67(116)108-30-15-22-62(108)83(130)131)98-65(114)39-93-70(117)45(3)97-74(121)55(33-47-16-9-7-10-17-47)102-76(123)57(36-50-38-91-43-96-50)99-66(115)40-94-80(127)68(46(4)110)106-81(128)69(85(5,6)133)107-77(124)56(34-48-18-11-8-12-19-48)101-73(120)53(20-13-29-92-84(89)90)100-71(118)52(86)27-28-63(87)112/h7-12,16-19,23-26,38,43-46,52-62,68-69,110-111,132-133H,13-15,20-22,27-37,39-42,86H2,1-6H3,(H2,87,112)(H2,88,113)(H,91,96)(H,93,117)(H,94,127)(H,95,119)(H,97,121)(H,98,114)(H,99,115)(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,130,131)(H4,89,90,92)/t45-,46-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,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 | 490 | 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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