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BDBM50010164 2-[4-amino(imino)methylamino-1-methylcarboxamido-(1S)-butylcarboxamidomethylcarboxamido]-3-[1-carbamoyl-2-hydroxy-(1S)-ethylcarbamoyl]-(2R)-propanoic acid::CHEMBL320678

SMILES: CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@H](CC(=O)N[C@@H](CO)C(N)=O)C(O)=O

InChI Key: InChIKey=SEJBFDZYXZTUTD-AXFHLTTASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010164   
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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50010164
PNG
(2-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@H](CC(=O)N[C@@H](CO)C(N)=O)C(O)=O
Show InChI InChI=1S/C17H30N8O8/c1-8(27)23-9(3-2-4-21-17(19)20)15(31)22-6-13(29)24-10(16(32)33)5-12(28)25-11(7-26)14(18)30/h9-11,26H,2-7H2,1H3,(H2,18,30)(H,22,31)(H,23,27)(H,24,29)(H,25,28)(H,32,33)(H4,19,20,21)/t9-,10+,11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of thrombin-stimulated platelet aggregation in dogs


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair