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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'IgG receptor FcRn large subunit p51' and Ligand = 'BDBM50270942'   
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)
BDBM50270942
PNG
((2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S...)
Show SMILES CC(C)C[C@H](N(C)C(=O)CN(C)C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCN=C(N)N)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)=O
Show InChI InChI=1S/C72H101N17O16S2/c1-41(2)32-55(66(100)83-52(36-45-22-24-47(91)25-23-45)69(103)89-31-15-21-54(89)65(99)84-53(40-106)70(104)105)88(7)58(94)39-87(6)57(93)38-79-62(96)49(33-43-16-10-8-11-17-43)82-63(97)50(35-46-26-29-76-30-27-46)80-56(92)37-78-67(101)59(42(3)90)85-68(102)60(72(4,5)107)86-64(98)51(34-44-18-12-9-13-19-44)81-61(95)48(73)20-14-28-77-71(74)75/h8-13,16-19,22-27,29-30,41-42,48-55,59-60,90-91,106-107H,14-15,20-21,28,31-40,73H2,1-7H3,(H,78,101)(H,79,96)(H,80,92)(H,81,95)(H,82,97)(H,83,100)(H,84,99)(H,85,102)(H,86,98)(H,104,105)(H4,74,75,77)/t42-,48+,49+,50+,51+,52+,53+,54+,55+,59+,60-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/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)
BDBM50270942
PNG
((2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S...)
Show SMILES CC(C)C[C@H](N(C)C(=O)CN(C)C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCN=C(N)N)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)=O
Show InChI InChI=1S/C72H101N17O16S2/c1-41(2)32-55(66(100)83-52(36-45-22-24-47(91)25-23-45)69(103)89-31-15-21-54(89)65(99)84-53(40-106)70(104)105)88(7)58(94)39-87(6)57(93)38-79-62(96)49(33-43-16-10-8-11-17-43)82-63(97)50(35-46-26-29-76-30-27-46)80-56(92)37-78-67(101)59(42(3)90)85-68(102)60(72(4,5)107)86-64(98)51(34-44-18-12-9-13-19-44)81-61(95)48(73)20-14-28-77-71(74)75/h8-13,16-19,22-27,29-30,41-42,48-55,59-60,90-91,106-107H,14-15,20-21,28,31-40,73H2,1-7H3,(H,78,101)(H,79,96)(H,80,92)(H,81,95)(H,82,97)(H,83,100)(H,84,99)(H,85,102)(H,86,98)(H,104,105)(H4,74,75,77)/t42-,48+,49+,50+,51+,52+,53+,54+,55+,59+,60-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 67n/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
IgG receptor FcRn large subunit p51


(Homo sapiens)
BDBM50270942
PNG
((2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S...)
Show SMILES CC(C)C[C@H](N(C)C(=O)CN(C)C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCN=C(N)N)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)=O
Show InChI InChI=1S/C72H101N17O16S2/c1-41(2)32-55(66(100)83-52(36-45-22-24-47(91)25-23-45)69(103)89-31-15-21-54(89)65(99)84-53(40-106)70(104)105)88(7)58(94)39-87(6)57(93)38-79-62(96)49(33-43-16-10-8-11-17-43)82-63(97)50(35-46-26-29-76-30-27-46)80-56(92)37-78-67(101)59(42(3)90)85-68(102)60(72(4,5)107)86-64(98)51(34-44-18-12-9-13-19-44)81-61(95)48(73)20-14-28-77-71(74)75/h8-13,16-19,22-27,29-30,41-42,48-55,59-60,90-91,106-107H,14-15,20-21,28,31-40,73H2,1-7H3,(H,78,101)(H,79,96)(H,80,92)(H,81,95)(H,82,97)(H,83,100)(H,84,99)(H,85,102)(H,86,98)(H,104,105)(H4,74,75,77)/t42-,48+,49+,50+,51+,52+,53+,54+,55+,59+,60-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 280n/an/an/a7.4n/a



Syntonix Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human FcRn at pH 7.4 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