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BDBM228621 US9345793, 2::US9744252, Example 2

SMILES: OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1ccc(OCCF)cc1

InChI Key: InChIKey=VSUWKLBWQGLQNM-IRLDBZIGSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 228621   
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))
BDBM228621
PNG
(US9345793, 2 | US9744252, Example 2)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1ccc(OCCF)cc1
Show InChI InChI=1S/C25H36FN3O5/c26-11-15-34-21-6-4-19(5-7-21)22(16-24(31)32)28-25(33)20-2-1-14-29(17-20)23(30)8-3-18-9-12-27-13-10-18/h4-7,18,20,22,27H,1-3,8-17H2,(H,28,33)(H,31,32)/t20-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 29n/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))
BDBM228621
PNG
(US9345793, 2 | US9744252, Example 2)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1ccc(OCCF)cc1
Show InChI InChI=1S/C25H36FN3O5/c26-11-15-34-21-6-4-19(5-7-21)22(16-24(31)32)28-25(33)20-2-1-14-29(17-20)23(30)8-3-18-9-12-27-13-10-18/h4-7,18,20,22,27H,1-3,8-17H2,(H,28,33)(H,31,32)/t20-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/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