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BDBM50289260 (S)-4-Methyl-2-((S)-2-{(S)-3-methyl-2-[(S)-3-phenyl-2-(toluene-4-sulfonylamino)-propionylamino]-butyrylamino}-propionylamino)-pentanoic acid amide::CHEMBL79025

SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)C(C)C)C(N)=O

InChI Key: InChIKey=AYJNZYKVWZZRRP-PZYJALBSSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50289260   
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))
BDBM50289260
PNG
((S)-4-Methyl-2-((S)-2-{(S)-3-methyl-2-[(S)-3-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C30H43N5O6S/c1-18(2)16-24(27(31)36)33-28(37)21(6)32-30(39)26(19(3)4)34-29(38)25(17-22-10-8-7-9-11-22)35-42(40,41)23-14-12-20(5)13-15-23/h7-15,18-19,21,24-26,35H,16-17H2,1-6H3,(H2,31,36)(H,32,39)(H,33,37)(H,34,38)/t21-,24-,25-,26-/m0/s1
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration to the endothelin A receptor expressed in LtK cells


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))
BDBM50289260
PNG
((S)-4-Methyl-2-((S)-2-{(S)-3-methyl-2-[(S)-3-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)C(C)C)C(N)=O
Show InChI InChI=1S/C30H43N5O6S/c1-18(2)16-24(27(31)36)33-28(37)21(6)32-30(39)26(19(3)4)34-29(38)25(17-22-10-8-7-9-11-22)35-42(40,41)23-14-12-20(5)13-15-23/h7-15,18-19,21,24-26,35H,16-17H2,1-6H3,(H2,31,36)(H,32,39)(H,33,37)(H,34,38)/t21-,24-,25-,26-/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 1.00E+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