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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 = 'BDBM228630'   
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))
BDBM228630
PNG
(US9345793, 11 | US9744252, Example 11)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(c1)-c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H34FN5O6/c29-23-5-4-19(13-25(23)34(39)40)21-12-22(16-31-15-21)24(14-27(36)37)32-28(38)20-2-1-11-33(17-20)26(35)6-3-18-7-9-30-10-8-18/h4-5,12-13,15-16,18,20,24,30H,1-3,6-11,14,17H2,(H,32,38)(H,36,37)/t20-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 14n/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