BindingDB logo
myBDB logout

BDBM228620 US9345793, 1::US9744252, Example 1

SMILES: OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cccc(OCCF)c1

InChI Key: InChIKey=OASOOSFMOMJDDX-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 = 228620   
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))
BDBM228620
PNG
(US9345793, 1 | US9744252, Example 1)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cccc(OCCF)c1
Show InChI InChI=1S/C25H36FN3O5/c26-10-14-34-21-5-1-3-19(15-21)22(16-24(31)32)28-25(33)20-4-2-13-29(17-20)23(30)7-6-18-8-11-27-12-9-18/h1,3,5,15,18,20,22,27H,2,4,6-14,16-17H2,(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 101n/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)

More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM228620
PNG
(US9345793, 1 | US9744252, Example 1)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cccc(OCCF)c1
Show InChI InChI=1S/C25H36FN3O5/c26-10-14-34-21-5-1-3-19(15-21)22(16-24(31)32)28-25(33)20-4-2-13-29(17-20)23(30)7-6-18-8-11-27-12-9-18/h1,3,5,15,18,20,22,27H,2,4,6-14,16-17H2,(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 101n/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