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BDBM50270985 (2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(3R)-3-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-phenylpropanamido]-3-methylbutanamido]-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}propanoic acid::CHEMBL508902

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)[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

InChI Key: InChIKey=CHCLMWAHFABHFZ-KEACGAIKSA-N

Data: 1 IC50  1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50270985   
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)
BDBM50270985
PNG
((2S)-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)[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/C71H100N18O16/c1-39(2)30-50(61(95)85-54(33-45-23-25-47(91)26-24-45)69(103)89-29-15-22-55(89)65(99)79-41(5)70(104)105)81-57(93)37-88-28-14-21-49(68(88)102)82-62(96)51(31-43-16-9-7-10-17-43)84-63(97)53(34-46-35-75-38-78-46)80-56(92)36-77-66(100)59(42(6)90)87-67(101)58(40(3)4)86-64(98)52(32-44-18-11-8-12-19-44)83-60(94)48(72)20-13-27-76-71(73)74/h7-12,16-19,23-26,35,38-42,48-55,58-59,90-91H,13-15,20-22,27-34,36-37,72H2,1-6H3,(H,75,78)(H,77,100)(H,79,99)(H,80,92)(H,81,93)(H,82,96)(H,83,94)(H,84,97)(H,85,95)(H,86,98)(H,87,101)(H,104,105)(H4,73,74,76)/t41-,42+,48-,49+,50-,51-,52-,53-,54-,55-,58-,59-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.30E+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
IgG receptor FcRn large subunit p51


(Homo sapiens)
BDBM50270985
PNG
((2S)-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)[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/C71H100N18O16/c1-39(2)30-50(61(95)85-54(33-45-23-25-47(91)26-24-45)69(103)89-29-15-22-55(89)65(99)79-41(5)70(104)105)81-57(93)37-88-28-14-21-49(68(88)102)82-62(96)51(31-43-16-9-7-10-17-43)84-63(97)53(34-46-35-75-38-78-46)80-56(92)36-77-66(100)59(42(6)90)87-67(101)58(40(3)4)86-64(98)52(32-44-18-11-8-12-19-44)83-60(94)48(72)20-13-27-76-71(73)74/h7-12,16-19,23-26,35,38-42,48-55,58-59,90-91H,13-15,20-22,27-34,36-37,72H2,1-6H3,(H,75,78)(H,77,100)(H,79,99)(H,80,92)(H,81,93)(H,82,96)(H,83,94)(H,84,97)(H,85,95)(H,86,98)(H,87,101)(H,104,105)(H4,73,74,76)/t41-,42+,48-,49+,50-,51-,52-,53-,54-,55-,58-,59-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80E+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