Found 2 hits Enz. Inhib. hit(s) with Target = 'IgG receptor FcRn large subunit p51' and Ligand = 'BDBM50270913' 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)) | BDBM50270913
((2S)-1-{2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc1cccc(C)c1)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:50.60,46.48,42.44,83.87,28.36,4.4,89.91,104.109,108.112,114.118,129.135,72.75,wD:61.71,16.25,(34.92,-29.19,;34.92,-30.71,;36.27,-31.49,;33.59,-31.49,;33.59,-33.01,;32.26,-33.78,;30.93,-32.99,;30.93,-31.48,;29.6,-33.76,;28.26,-32.98,;26.94,-33.75,;26.94,-35.3,;25.6,-32.98,;24.28,-33.74,;22.94,-32.95,;22.94,-31.43,;21.62,-33.72,;21.62,-35.27,;22.37,-36.59,;23.89,-36.6,;24.64,-37.91,;23.87,-39.23,;22.36,-39.22,;21.58,-40.56,;21.6,-37.9,;20.28,-32.95,;18.96,-33.71,;18.96,-35.25,;17.62,-32.93,;17.62,-31.41,;18.96,-30.63,;20.36,-31.27,;21.4,-30.15,;20.64,-28.81,;19.14,-29.12,;16.3,-33.7,;14.96,-32.92,;14.96,-31.39,;13.64,-33.68,;12.3,-32.91,;10.97,-33.68,;10.97,-35.21,;9.63,-32.91,;8.32,-33.67,;6.98,-32.9,;6.99,-31.33,;5.64,-33.66,;4.3,-32.88,;2.96,-33.66,;2.96,-35.2,;1.63,-32.88,;1.63,-31.34,;2.96,-30.56,;4.32,-31.34,;5.65,-30.57,;5.65,-29.03,;4.32,-28.26,;2.97,-29.03,;.29,-33.66,;-1.05,-32.88,;-1.05,-31.34,;-2.4,-33.66,;-2.4,-35.2,;-1.05,-35.97,;-1.05,-37.54,;.29,-38.31,;.29,-39.85,;-1.05,-40.62,;1.63,-40.62,;-3.75,-32.88,;-5.08,-33.66,;-5.08,-35.2,;-6.43,-32.88,;-7.78,-33.66,;-6.43,-31.34,;-5.08,-30.56,;-5.08,-29.02,;-6.43,-28.25,;-3.75,-28.25,;5.65,-35.2,;7.18,-35.23,;4.1,-35.19,;5.64,-36.74,;9.63,-31.36,;8.31,-30.6,;10.98,-30.59,;34.92,-33.78,;34.92,-35.34,;36.25,-33.02,;37.59,-33.8,;38.91,-33.04,;38.91,-31.52,;37.6,-30.74,;37.6,-29.21,;38.94,-28.45,;38.94,-26.91,;40.27,-29.22,;40.26,-30.75,;37.59,-35.35,;36.25,-36.13,;38.91,-36.11,;40.48,-35.57,;41.5,-36.9,;40.56,-38.28,;39.17,-37.6,;37.94,-38.53,;36.56,-37.85,;38.05,-40.06,;36.78,-40.92,;35.39,-40.24,;34.12,-41.11,;36.88,-42.45,;38.26,-43.12,;35.6,-43.31,;35.72,-44.84,;37.09,-45.52,;37.2,-47.05,;35.93,-47.91,;38.59,-47.72,;34.44,-45.7,;33.06,-45.03,;34.55,-47.24,;33.27,-48.09,;33.38,-49.63,;34.76,-50.3,;32.11,-50.48,;31.92,-52.16,;30.28,-52.5,;29.45,-51.05,;30.66,-50.09,;30.36,-48.58,;28.91,-48.09,;31.51,-47.56,)| Show InChI InChI=1S/C85H122N24O22S2/c1-44(2)30-54(75(122)104-59(33-48-21-23-51(111)24-22-48)82(129)109-29-12-19-61(109)79(126)105-60(42-132)78(125)103-58(36-64(88)113)73(120)96-41-68(117)108-28-13-20-62(108)83(130)131)98-66(115)39-93-65(114)38-94-72(119)55(34-49-17-10-14-45(3)31-49)101-76(123)57(35-50-37-91-43-97-50)99-67(116)40-95-80(127)69(46(4)110)106-81(128)70(85(5,6)133)107-77(124)56(32-47-15-8-7-9-16-47)102-74(121)53(18-11-27-92-84(89)90)100-71(118)52(86)25-26-63(87)112/h7-10,14-17,21-24,31,37,43-44,46,52-62,69-70,110-111,132-133H,11-13,18-20,25-30,32-36,38-42,86H2,1-6H3,(H2,87,112)(H2,88,113)(H,91,97)(H,93,114)(H,94,119)(H,95,127)(H,96,120)(H,98,115)(H,99,116)(H,100,118)(H,101,123)(H,102,121)(H,103,125)(H,104,122)(H,105,126)(H,106,128)(H,107,124)(H,130,131)(H4,89,90,92)/t46-,52+,53+,54+,55+,56+,57+,58+,59+,60-,61+,62+,69+,70+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+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)) | BDBM50270913
((2S)-1-{2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc1cccc(C)c1)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:50.60,46.48,42.44,83.87,28.36,4.4,89.91,104.109,108.112,114.118,129.135,72.75,wD:61.71,16.25,(34.92,-29.19,;34.92,-30.71,;36.27,-31.49,;33.59,-31.49,;33.59,-33.01,;32.26,-33.78,;30.93,-32.99,;30.93,-31.48,;29.6,-33.76,;28.26,-32.98,;26.94,-33.75,;26.94,-35.3,;25.6,-32.98,;24.28,-33.74,;22.94,-32.95,;22.94,-31.43,;21.62,-33.72,;21.62,-35.27,;22.37,-36.59,;23.89,-36.6,;24.64,-37.91,;23.87,-39.23,;22.36,-39.22,;21.58,-40.56,;21.6,-37.9,;20.28,-32.95,;18.96,-33.71,;18.96,-35.25,;17.62,-32.93,;17.62,-31.41,;18.96,-30.63,;20.36,-31.27,;21.4,-30.15,;20.64,-28.81,;19.14,-29.12,;16.3,-33.7,;14.96,-32.92,;14.96,-31.39,;13.64,-33.68,;12.3,-32.91,;10.97,-33.68,;10.97,-35.21,;9.63,-32.91,;8.32,-33.67,;6.98,-32.9,;6.99,-31.33,;5.64,-33.66,;4.3,-32.88,;2.96,-33.66,;2.96,-35.2,;1.63,-32.88,;1.63,-31.34,;2.96,-30.56,;4.32,-31.34,;5.65,-30.57,;5.65,-29.03,;4.32,-28.26,;2.97,-29.03,;.29,-33.66,;-1.05,-32.88,;-1.05,-31.34,;-2.4,-33.66,;-2.4,-35.2,;-1.05,-35.97,;-1.05,-37.54,;.29,-38.31,;.29,-39.85,;-1.05,-40.62,;1.63,-40.62,;-3.75,-32.88,;-5.08,-33.66,;-5.08,-35.2,;-6.43,-32.88,;-7.78,-33.66,;-6.43,-31.34,;-5.08,-30.56,;-5.08,-29.02,;-6.43,-28.25,;-3.75,-28.25,;5.65,-35.2,;7.18,-35.23,;4.1,-35.19,;5.64,-36.74,;9.63,-31.36,;8.31,-30.6,;10.98,-30.59,;34.92,-33.78,;34.92,-35.34,;36.25,-33.02,;37.59,-33.8,;38.91,-33.04,;38.91,-31.52,;37.6,-30.74,;37.6,-29.21,;38.94,-28.45,;38.94,-26.91,;40.27,-29.22,;40.26,-30.75,;37.59,-35.35,;36.25,-36.13,;38.91,-36.11,;40.48,-35.57,;41.5,-36.9,;40.56,-38.28,;39.17,-37.6,;37.94,-38.53,;36.56,-37.85,;38.05,-40.06,;36.78,-40.92,;35.39,-40.24,;34.12,-41.11,;36.88,-42.45,;38.26,-43.12,;35.6,-43.31,;35.72,-44.84,;37.09,-45.52,;37.2,-47.05,;35.93,-47.91,;38.59,-47.72,;34.44,-45.7,;33.06,-45.03,;34.55,-47.24,;33.27,-48.09,;33.38,-49.63,;34.76,-50.3,;32.11,-50.48,;31.92,-52.16,;30.28,-52.5,;29.45,-51.05,;30.66,-50.09,;30.36,-48.58,;28.91,-48.09,;31.51,-47.56,)| Show InChI InChI=1S/C85H122N24O22S2/c1-44(2)30-54(75(122)104-59(33-48-21-23-51(111)24-22-48)82(129)109-29-12-19-61(109)79(126)105-60(42-132)78(125)103-58(36-64(88)113)73(120)96-41-68(117)108-28-13-20-62(108)83(130)131)98-66(115)39-93-65(114)38-94-72(119)55(34-49-17-10-14-45(3)31-49)101-76(123)57(35-50-37-91-43-97-50)99-67(116)40-95-80(127)69(46(4)110)106-81(128)70(85(5,6)133)107-77(124)56(32-47-15-8-7-9-16-47)102-74(121)53(18-11-27-92-84(89)90)100-71(118)52(86)25-26-63(87)112/h7-10,14-17,21-24,31,37,43-44,46,52-62,69-70,110-111,132-133H,11-13,18-20,25-30,32-36,38-42,86H2,1-6H3,(H2,87,112)(H2,88,113)(H,91,97)(H,93,114)(H,94,119)(H,95,127)(H,96,120)(H,98,115)(H,99,116)(H,100,118)(H,101,123)(H,102,121)(H,103,125)(H,104,122)(H,105,126)(H,106,128)(H,107,124)(H,130,131)(H4,89,90,92)/t46-,52+,53+,54+,55+,56+,57+,58+,59+,60-,61+,62+,69+,70+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 670 | 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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