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BDBM50289266 6-Amino-hexanoic acid (1-{(S)-1-[1-((S)-(S)-1-carbamoyl-3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-methyl-propylcarbamoyl}-2-phenyl-ethyl)-amide::CHEMBL420380

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

InChI Key: InChIKey=LDHHIRRNVJPPGJ-IVIIFCHOSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50289266   
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))
BDBM50289266
PNG
(6-Amino-hexanoic acid (1-{(S)-1-[1-((S)-(S)-1-carb...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C29H48N6O5/c1-18(2)16-22(26(31)37)34-27(38)20(5)32-29(40)25(19(3)4)35-28(39)23(17-21-12-8-6-9-13-21)33-24(36)14-10-7-11-15-30/h6,8-9,12-13,18-20,22-23,25H,7,10-11,14-17,30H2,1-5H3,(H2,31,37)(H,32,40)(H,33,36)(H,34,38)(H,35,39)/t20-,22-,23-,25-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 170n/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
HLA class II histocompatibility antigen DRB1-1


(Homo sapiens (Human))
BDBM50289266
PNG
(6-Amino-hexanoic acid (1-{(S)-1-[1-((S)-(S)-1-carb...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)C(C)C)C(N)=O
Show InChI InChI=1S/C29H48N6O5/c1-18(2)16-22(26(31)37)34-27(38)20(5)32-29(40)25(19(3)4)35-28(39)23(17-21-12-8-6-9-13-21)33-24(36)14-10-7-11-15-30/h6,8-9,12-13,18-20,22-23,25H,7,10-11,14-17,30H2,1-5H3,(H2,31,37)(H,32,40)(H,33,36)(H,34,38)(H,35,39)/t20-,22-,23-,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 1.60E+3n/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