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SMILES: NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCc2ccc(Br)cc2)C(O)=O)C1

InChI Key: InChIKey=BKNQAXVRMKLUIU-NNBQYGFHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50058892   
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))		BDBM50058892
PNG
((S)-2-(4-Bromo-benzyloxycarbonylamino)-3-{2-[3-(4-...)
Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCc2ccc(Br)cc2)C(O)=O)C1 |t:10|
Show InChI InChI=1S/C23H24BrN5O6/c24-16-7-1-13(2-8-16)12-34-23(33)28-19(22(31)32)11-27-20(30)10-17-9-18(29-35-17)14-3-5-15(6-4-14)21(25)26/h1-8,17,19H,9-12H2,(H3,25,26)(H,27,30)(H,28,33)(H,31,32)/t17?,19-/m0/s1
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KEGG

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Similars
Article
PubMed
n/an/a 44n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)

J Med Chem 40: 2064-84 (1997)


Article DOI: 10.1021/jm960799i
BindingDB Entry DOI: 10.7270/Q2DB82HC
More data for this
Ligand-Target Pair