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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 = 'BDBM50010185'   
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))
BDBM50010185
PNG
(16-Acetylamino-7-carbamoylmethyl-13-(3-guanidino-p...)
Show SMILES CN1[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)C(C)(C)SSC[C@@H](NC(C)=O)C1=O
Show InChI InChI=1S/C23H40N10O7S2/c1-11(34)30-13-10-41-42-23(2,3)17(18(25)37)32-19(38)12(8-15(24)35)31-16(36)9-29-20(39)14(33(4)21(13)40)6-5-7-28-22(26)27/h12-14,17H,5-10H2,1-4H3,(H2,24,35)(H2,25,37)(H,29,39)(H,30,34)(H,31,36)(H,32,38)(H4,26,27,28)/t12-,13-,14-,17+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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