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BDBM228633 US9345793, 14::US9744252, Example 14

SMILES: OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1ccc(C#N)c(F)c1

InChI Key: InChIKey=VITFKBICHMWBSD-CTNGQTDRSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 228633   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha-IIb


(Homo sapiens (Human))
BDBM228633
PNG
(US9345793, 14 | US9744252, Example 14)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H31FN4O4/c25-20-12-17(4-5-18(20)14-26)21(13-23(31)32)28-24(33)19-2-1-11-29(15-19)22(30)6-3-16-7-9-27-10-8-16/h4-5,12,16,19,21,27H,1-3,6-11,13,15H2,(H,28,33)(H,31,32)/t19-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 15n/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
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM228633
PNG
(US9345793, 14 | US9744252, Example 14)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H31FN4O4/c25-20-12-17(4-5-18(20)14-26)21(13-23(31)32)28-24(33)19-2-1-11-29(15-19)22(30)6-3-16-7-9-27-10-8-16/h4-5,12,16,19,21,27H,1-3,6-11,13,15H2,(H,28,33)(H,31,32)/t19-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/a2



PIRAMAL IMAGING SA

US Patent


Assay Description
The GPIIb/IIIa receptor was immobilized 48 hours at least (100 μL per well, 48 to maximum 96 hours) on a 96-well solid plate (Immuno Plate MaxiSor...


US Patent US9345793 (2016)


BindingDB Entry DOI: 10.7270/Q22806GR
More data for this
Ligand-Target Pair