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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb' and Ligand = 'BDBM228622'   
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


(Homo sapiens (Human))
BDBM228622
PNG
(US9345793, 3 | US9744252, Example 3)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(OCCF)c1
Show InChI InChI=1S/C24H35FN4O5/c25-7-11-34-20-12-19(14-27-15-20)21(13-23(31)32)28-24(33)18-2-1-10-29(16-18)22(30)4-3-17-5-8-26-9-6-17/h12,14-15,17-18,21,26H,1-11,13,16H2,(H,28,33)(H,31,32)/t18-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 20n/an/an/an/an/an/a



PIRAMAL IMAGING SA

US Patent


Assay Description
Purified human glycoprotein IIb/IIIa (20 mM Tris-HCl, 0.1 M NaCl, 0.1% Triton X-100, 1 mM CaCl2, 0.05% NaN3, 50% Glycerol, pH 7.4) was purchased from...


US Patent US9744252 (2017)


Article DOI: 10.1073/pnas.0504952102
BindingDB Entry DOI: 10.7270/Q2F76FN7
More data for this
Ligand-Target Pair