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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'IgG receptor FcRn large subunit p51' and Ligand = 'BDBM50270986'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
IgG receptor FcRn large subunit p51


(Homo sapiens (Human))
BDBM50270986
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(3R)-3-[(2S)-2...)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)[C@@H](C)O)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C72H102N18O16/c1-40(2)31-51(62(96)86-55(34-46-24-26-48(92)27-25-46)70(104)90-30-16-23-56(90)66(100)80-42(5)71(105)106)82-58(94)38-89-29-14-13-22-50(69(89)103)83-63(97)52(32-44-17-9-7-10-18-44)85-64(98)54(35-47-36-76-39-79-47)81-57(93)37-78-67(101)60(43(6)91)88-68(102)59(41(3)4)87-65(99)53(33-45-19-11-8-12-20-45)84-61(95)49(73)21-15-28-77-72(74)75/h7-12,17-20,24-27,36,39-43,49-56,59-60,91-92H,13-16,21-23,28-35,37-38,73H2,1-6H3,(H,76,79)(H,78,101)(H,80,100)(H,81,93)(H,82,94)(H,83,97)(H,84,95)(H,85,98)(H,86,96)(H,87,99)(H,88,102)(H,105,106)(H4,74,75,77)/t42-,43+,49-,50+,51-,52-,53-,54-,55-,56-,59-,60-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/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))
BDBM50270986
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(3R)-3-[(2S)-2...)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)[C@@H](C)O)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C72H102N18O16/c1-40(2)31-51(62(96)86-55(34-46-24-26-48(92)27-25-46)70(104)90-30-16-23-56(90)66(100)80-42(5)71(105)106)82-58(94)38-89-29-14-13-22-50(69(89)103)83-63(97)52(32-44-17-9-7-10-18-44)85-64(98)54(35-47-36-76-39-79-47)81-57(93)37-78-67(101)60(43(6)91)88-68(102)59(41(3)4)87-65(99)53(33-45-19-11-8-12-20-45)84-61(95)49(73)21-15-28-77-72(74)75/h7-12,17-20,24-27,36,39-43,49-56,59-60,91-92H,13-16,21-23,28-35,37-38,73H2,1-6H3,(H,76,79)(H,78,101)(H,80,100)(H,81,93)(H,82,94)(H,83,97)(H,84,95)(H,85,98)(H,86,96)(H,87,99)(H,88,102)(H,105,106)(H4,74,75,77)/t42-,43+,49-,50+,51-,52-,53-,54-,55-,56-,59-,60-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.30E+3n/an/an/a6.0n/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