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BDBM50010173 4-[4-amino(imino)methylamino-1-methylcarboxamido-(1S)-butylcarboxamidomethylcarboxamido]-4-[1-carbamoyl-2-hydroxy-(1S)-ethylcarbamoyl]butanoic acid::CHEMBL104274

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

InChI Key: InChIKey=MTCLSNRSZVTJMH-TUAOUCFPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010173   
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))
BDBM50010173
PNG
(4-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C18H32N8O8/c1-9(28)24-10(3-2-6-22-18(20)21)16(33)23-7-13(29)25-11(4-5-14(30)31)17(34)26-12(8-27)15(19)32/h10-12,27H,2-8H2,1H3,(H2,19,32)(H,23,33)(H,24,28)(H,25,29)(H,26,34)(H,30,31)(H4,20,21,22)/t10-,11+,12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.70E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP


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