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BDBM50040747 (3R,4R,7S,13S,16R)-16-Acetylamino-7-carboxymethyl-13-(3-guanidino-propyl)-14-methyl-6,9,12,15-tetraoxo-3-phenyl-1,2-dithia-5,8,11,14-tetraaza-cycloheptadecane-4-carboxylic acid::CHEMBL165488

SMILES: CN1[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@H](SSC[C@H](NC(C)=O)C1=O)c1ccccc1)C(O)=O

InChI Key: InChIKey=UAPVZXWNLBOZAW-FHHGAAIESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50040747   
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))		BDBM50040747
PNG
((3R,4R,7S,13S,16R)-16-Acetylamino-7-carboxymethyl-...)
Show SMILES CN1[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@H](SSC[C@H](NC(C)=O)C1=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C27H38N8O9S2/c1-14(36)32-17-13-45-46-22(15-7-4-3-5-8-15)21(26(43)44)34-23(40)16(11-20(38)39)33-19(37)12-31-24(41)18(35(2)25(17)42)9-6-10-30-27(28)29/h3-5,7-8,16-18,21-22H,6,9-13H2,1-2H3,(H,31,41)(H,32,36)(H,33,37)(H,34,40)(H,38,39)(H,43,44)(H4,28,29,30)/t16-,17-,18-,21-,22+/m0/s1
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Similars
PubMed
 2.10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Tested for inhibition of fibrinogen binding to purified GPIIb/IIIa isolated from human platelets and reconstituted in liposomes

J Med Chem 37: 769-80 (1994)


BindingDB Entry DOI: 10.7270/Q2445KJB
More data for this
Ligand-Target Pair