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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 = 'BDBM50006286'   
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))
BDBM50006286
PNG
(6-Carboxymethyl-15-(2,2-dimethyl-propyl)-12-(3-gua...)
Show SMILES CC(C)(C)C[C@H]1NC(=O)CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O
Show InChI InChI=1S/C24H40N8O9S/c1-24(2,3)8-14-21(39)31-12(5-4-6-27-23(25)26)19(37)28-9-16(33)29-13(7-18(35)36)20(38)32-15(22(40)41)10-42-11-17(34)30-14/h12-15H,4-11H2,1-3H3,(H,28,37)(H,29,33)(H,30,34)(H,31,39)(H,32,38)(H,35,36)(H,40,41)(H4,25,26,27)/t12-,13-,14+,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 35: 2040-8 (1992)


Article DOI: 10.1021/jm00089a014
BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair