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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50040738'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50040738
PNG
(CHEMBL165153 | [(4S,7R,13R,16S)-16-Acetylamino-14-...)
Show SMILES CC(=O)N[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)N(Cc2ccccc2)C1=O)C(N)=O
Show InChI InChI=1S/C29H43N9O8S2/c1-16(39)35-19-15-47-48-29(2,3)23(24(30)43)37-25(44)18(12-22(41)42)36-21(40)13-34-26(45)20(10-7-11-33-28(31)32)38(27(19)46)14-17-8-5-4-6-9-17/h4-6,8-9,18-20,23H,7,10-15H2,1-3H3,(H2,30,43)(H,34,45)(H,35,39)(H,36,40)(H,37,44)(H,41,42)(H4,31,32,33)/t18-,19-,20-,23+/m1/s1
PDB

KEGG

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PC cid
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Similars
PubMed
>1.00E+5n/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