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BDBM50270943 (2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{2-[(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-(thiophen-3-yl)propanamido]-3-phenylpropanamido]-N-methylacetamido}-N-methylacetamido)-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid::CHEMBL501094

SMILES: [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7](-[#6])-[#6](=O)-[#6]-[#7](-[#6])-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccsc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])C([#6])([#6])[#16])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](-[#8])=O

InChI Key: InChIKey=BFALDNZBLNDWMU-LNQCMHHTNA-N

Data: 1 IC50  2 Kd

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50270943   
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))
BDBM50270943
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](Cc1ccsc1)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=1/C71H100N16O16S3/c1-40(2)30-54(65(98)81-51(33-44-22-24-46(89)25-23-44)68(101)87-28-15-21-53(87)64(97)82-52(38-104)69(102)103)86(7)57(92)37-85(6)56(91)36-77-61(94)48(31-42-16-10-8-11-17-42)80-62(95)49(34-45-26-29-106-39-45)78-55(90)35-76-66(99)58(41(3)88)83-67(100)59(71(4,5)105)84-63(96)50(32-43-18-12-9-13-19-43)79-60(93)47(72)20-14-27-75-70(73)74/h8-13,16-19,22-26,29,39-41,47-54,58-59,88-89,104-105H,14-15,20-21,27-28,30-38,72H2,1-7H3,(H,76,99)(H,77,94)(H,78,90)(H,79,93)(H,80,95)(H,81,98)(H,82,97)(H,83,100)(H,84,96)(H,102,103)(H4,73,74,75)/t41-,47+,48+,49+,50+,51+,52+,53+,54+,58+,59-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.00E+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 (Human))
BDBM50270943
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](Cc1ccsc1)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=1/C71H100N16O16S3/c1-40(2)30-54(65(98)81-51(33-44-22-24-46(89)25-23-44)68(101)87-28-15-21-53(87)64(97)82-52(38-104)69(102)103)86(7)57(92)37-85(6)56(91)36-77-61(94)48(31-42-16-10-8-11-17-42)80-62(95)49(34-45-26-29-106-39-45)78-55(90)35-76-66(99)58(41(3)88)83-67(100)59(71(4,5)105)84-63(96)50(32-43-18-12-9-13-19-43)79-60(93)47(72)20-14-27-75-70(73)74/h8-13,16-19,22-26,29,39-41,47-54,58-59,88-89,104-105H,14-15,20-21,27-28,30-38,72H2,1-7H3,(H,76,99)(H,77,94)(H,78,90)(H,79,93)(H,80,95)(H,81,98)(H,82,97)(H,83,100)(H,84,96)(H,102,103)(H4,73,74,75)/t41-,47+,48+,49+,50+,51+,52+,53+,54+,58+,59-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+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))
BDBM50270943
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](Cc1ccsc1)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=1/C71H100N16O16S3/c1-40(2)30-54(65(98)81-51(33-44-22-24-46(89)25-23-44)68(101)87-28-15-21-53(87)64(97)82-52(38-104)69(102)103)86(7)57(92)37-85(6)56(91)36-77-61(94)48(31-42-16-10-8-11-17-42)80-62(95)49(34-45-26-29-106-39-45)78-55(90)35-76-66(99)58(41(3)88)83-67(100)59(71(4,5)105)84-63(96)50(32-43-18-12-9-13-19-43)79-60(93)47(72)20-14-27-75-70(73)74/h8-13,16-19,22-26,29,39-41,47-54,58-59,88-89,104-105H,14-15,20-21,27-28,30-38,72H2,1-7H3,(H,76,99)(H,77,94)(H,78,90)(H,79,93)(H,80,95)(H,81,98)(H,82,97)(H,83,100)(H,84,96)(H,102,103)(H4,73,74,75)/t41-,47+,48+,49+,50+,51+,52+,53+,54+,58+,59-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.00E+3n/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