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BDBM50010190 1N-[1-carbamoyl-2-hydroxy-(1S)-ethyl]-2-[4-amino(imino)methylamino-1-methylcarboxamido-(1S)-butylcarboxamidomethylcarboxamido]-(2S)-butanediamide::CHEMBL104428

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

InChI Key: InChIKey=XBTFEQYWCWEXFU-DCAQKATOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010190   
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))
BDBM50010190
PNG
(1N-[1-carbamoyl-2-hydroxy-(1S)-ethyl]-2-[4-amino(i...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C17H31N9O7/c1-8(28)24-9(3-2-4-22-17(20)21)15(32)23-6-13(30)25-10(5-12(18)29)16(33)26-11(7-27)14(19)31/h9-11,27H,2-7H2,1H3,(H2,18,29)(H2,19,31)(H,23,32)(H,24,28)(H,25,30)(H,26,33)(H4,20,21,22)/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 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