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BDBM50270959 (2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(3R)-3-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-methyl-3-sulfanylbutanamido]-3-hydroxybutanamido]acetamido}-3-(1H-imidazol-5-yl)propanamido]-3-phenylpropanamido]-2-oxopiperidin-1-yl]acetamido}-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid::CHEMBL524887

SMILES: CC(C)C[C@H](NC(=O)CN1CCC[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)S)[C@@H](C)O)C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(O)=O

InChI Key: InChIKey=YNUAWVMAHNXUNN-AVSQXCRCNA-N

Data: 1 IC50  1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50270959   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50270959
PNG
((2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(3R)-3-[(2S)-2...)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCC[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)S)[C@@H](C)O)C1=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=1/C71H100N18O16S2/c1-39(2)29-48(60(95)84-52(32-43-22-24-45(91)25-23-43)68(103)89-28-14-21-54(89)64(99)85-53(37-106)69(104)105)80-56(93)36-88-27-13-20-47(67(88)102)81-61(96)49(30-41-15-8-6-9-16-41)83-62(97)51(33-44-34-75-38-78-44)79-55(92)35-77-65(100)57(40(3)90)86-66(101)58(71(4,5)107)87-63(98)50(31-42-17-10-7-11-18-42)82-59(94)46(72)19-12-26-76-70(73)74/h6-11,15-18,22-25,34,38-40,46-54,57-58,90-91,106-107H,12-14,19-21,26-33,35-37,72H2,1-5H3,(H,75,78)(H,77,100)(H,79,92)(H,80,93)(H,81,96)(H,82,94)(H,83,97)(H,84,95)(H,85,99)(H,86,101)(H,87,98)(H,104,105)(H4,73,74,76)/t40-,46+,47-,48+,49+,50+,51+,52+,53+,54+,57+,58-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 160n/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 (Human))
BDBM50270959
PNG
((2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(3R)-3-[(2S)-2...)
Show SMILES CC(C)C[C@H](NC(=O)CN1CCC[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)S)[C@@H](C)O)C1=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=1/C71H100N18O16S2/c1-39(2)29-48(60(95)84-52(32-43-22-24-45(91)25-23-43)68(103)89-28-14-21-54(89)64(99)85-53(37-106)69(104)105)80-56(93)36-88-27-13-20-47(67(88)102)81-61(96)49(30-41-15-8-6-9-16-41)83-62(97)51(33-44-34-75-38-78-44)79-55(92)35-77-65(100)57(40(3)90)86-66(101)58(71(4,5)107)87-63(98)50(31-42-17-10-7-11-18-42)82-59(94)46(72)19-12-26-76-70(73)74/h6-11,15-18,22-25,34,38-40,46-54,57-58,90-91,106-107H,12-14,19-21,26-33,35-37,72H2,1-5H3,(H,75,78)(H,77,100)(H,79,92)(H,80,93)(H,81,96)(H,82,94)(H,83,97)(H,84,95)(H,85,99)(H,86,101)(H,87,98)(H,104,105)(H4,73,74,76)/t40-,46+,47-,48+,49+,50+,51+,52+,53+,54+,57+,58-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 660n/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