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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 = 'BDBM141986'   
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))
BDBM141986
PNG
(US8927534, 262)
Show SMILES Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3ccccc3)C(O)=O)cc2)c1
Show InChI InChI=1S/C28H32N4O3/c1-20-11-14-29-26(17-20)30-19-22-12-15-32(16-13-22)24-9-7-21(8-10-24)18-25(28(34)35)31-27(33)23-5-3-2-4-6-23/h2-11,14,17,22,25H,12-13,15-16,18-19H2,1H3,(H,29,30)(H,31,33)(H,34,35)
PDB

KEGG

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PC cid
PC sid
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Similars

US Patent
n/an/a>1.00E+3n/an/an/an/a9.64



Shire Orphan Therapies GmbH

US Patent


Assay Description
Fibrinogen was diluted with coating buffer (15 mM Na2CO3, 35 mM NaHCO3, pH 9.6) and coated with 100 uL/well to Nunc-Immuno maxisorp plates over night...


US Patent US8927534 (2015)


BindingDB Entry DOI: 10.7270/Q2TQ607Q
More data for this
Ligand-Target Pair