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BDBM50010182 3-[4-amino(imino)methylamino-1-methylcarboxamido-(1S)-butylcarboxamidomethylcarboxamido]-3-phenethylcarbamoylpropanoic acid::CHEMBL107910

SMILES: CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1

InChI Key: InChIKey=ADWALAFAWLVLGC-IRXDYDNUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010182   
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))
BDBM50010182
PNG
(3-[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)=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C22H33N7O6/c1-14(30)28-16(8-5-10-26-22(23)24)20(34)27-13-18(31)29-17(12-19(32)33)21(35)25-11-9-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-13H2,1H3,(H,25,35)(H,27,34)(H,28,30)(H,29,31)(H,32,33)(H4,23,24,26)/t16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.59E+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