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BDBM50289287 ((S)-1-{(S)-5-Amino-1-[(S)-1-(1-carbamoyl-cyclopentylcarbamoyl)-ethylcarbamoyl]-pentylcarbamoyl}-2-phenyl-ethyl)-carbamic acid ethyl ester::CHEMBL80965

SMILES: CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NC1(CCCC1)C(N)=O

InChI Key: InChIKey=SPQPFCUBGNFBBD-JBACZVJFSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50289287   
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))
BDBM50289287
PNG
(((S)-1-{(S)-5-Amino-1-[(S)-1-(1-carbamoyl-cyclopen...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NC1(CCCC1)C(N)=O
Show InChI InChI=1S/C27H42N6O6/c1-3-39-26(38)32-21(17-19-11-5-4-6-12-19)24(36)31-20(13-7-10-16-28)23(35)30-18(2)22(34)33-27(25(29)37)14-8-9-15-27/h4-6,11-12,18,20-21H,3,7-10,13-17,28H2,1-2H3,(H2,29,37)(H,30,35)(H,31,36)(H,32,38)(H,33,34)/t18-,20-,21-/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 730n/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
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair
HLA class II histocompatibility antigen DRB1-1


(Homo sapiens (Human))
BDBM50289287
PNG
(((S)-1-{(S)-5-Amino-1-[(S)-1-(1-carbamoyl-cyclopen...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NC1(CCCC1)C(N)=O
Show InChI InChI=1S/C27H42N6O6/c1-3-39-26(38)32-21(17-19-11-5-4-6-12-19)24(36)31-20(13-7-10-16-28)23(35)30-18(2)22(34)33-27(25(29)37)14-8-9-15-27/h4-6,11-12,18,20-21H,3,7-10,13-17,28H2,1-2H3,(H2,29,37)(H,30,35)(H,31,36)(H,32,38)(H,33,34)/t18-,20-,21-/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
BindingDB Entry DOI: 10.7270/Q2Q52PMZ
More data for this
Ligand-Target Pair