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BDBM50289279 ((S)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-methyl-propylcarbamoyl}-2-phenyl-ethyl)-carbamic acid hexyl ester::CHEMBL420761

SMILES: CCCCCCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O

InChI Key: InChIKey=KUVJCFZJLDGYQR-LFBFJMOVSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50289279   
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
Human leukocyte antigen DR beta chain


(Homo sapiens (Human))
BDBM50289279
PNG
(((S)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-but...)
Show SMILES CCCCCCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C30H49N5O6/c1-7-8-9-13-16-41-30(40)34-24(18-22-14-11-10-12-15-22)28(38)35-25(20(4)5)29(39)32-21(6)27(37)33-23(26(31)36)17-19(2)3/h10-12,14-15,19-21,23-25H,7-9,13,16-18H2,1-6H3,(H2,31,36)(H,32,39)(H,33,37)(H,34,40)(H,35,38)/t21-,23-,24-,25-/m0/s1
PDB
MMDB

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B.MOAD
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II...


Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
More data for this
Ligand-Target Pair
HLA class II histocompatibility antigen DRB1-1


(Homo sapiens (Human))
BDBM50289279
PNG
(((S)-1-{(S)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-but...)
Show SMILES CCCCCCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C30H49N5O6/c1-7-8-9-13-16-41-30(40)34-24(18-22-14-11-10-12-15-22)28(38)35-25(20(4)5)29(39)32-21(6)27(37)33-23(26(31)36)17-19(2)3/h10-12,14-15,19-21,23-25H,7-9,13,16-18H2,1-6H3,(H2,31,36)(H,32,39)(H,33,37)(H,34,40)(H,35,38)/t21-,23-,24-,25-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit the binding of biotinylated rat myelin basic protein peptide (RMBP90-102) against DR1 allele of class II MHC for ...


Bioorg Med Chem Lett 7: 19-24 (1997)


Article DOI: 10.1016/S0960-894X(96)00579-3
More data for this
Ligand-Target Pair