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BDBM228631 US9345793, 12::US9744252, Example 12

SMILES: OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(OCc2ccc(F)c(c2)C#N)c1

InChI Key: InChIKey=ALPHCBAGUUJBBU-AMGIVPHBSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 228631   
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))
BDBM228631
PNG
(US9345793, 12 | US9744252, Example 12)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(OCc2ccc(F)c(c2)C#N)c1
Show InChI InChI=1S/C30H36FN5O5/c31-26-5-3-21(12-23(26)15-32)19-41-25-13-24(16-34-17-25)27(14-29(38)39)35-30(40)22-2-1-11-36(18-22)28(37)6-4-20-7-9-33-10-8-20/h3,5,12-13,16-17,20,22,27,33H,1-2,4,6-11,14,18-19H2,(H,35,40)(H,38,39)/t22-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/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))
BDBM228631
PNG
(US9345793, 12 | US9744252, Example 12)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(OCc2ccc(F)c(c2)C#N)c1
Show InChI InChI=1S/C30H36FN5O5/c31-26-5-3-21(12-23(26)15-32)19-41-25-13-24(16-34-17-25)27(14-29(38)39)35-30(40)22-2-1-11-36(18-22)28(37)6-4-20-7-9-33-10-8-20/h3,5,12-13,16-17,20,22,27,33H,1-2,4,6-11,14,18-19H2,(H,35,40)(H,38,39)/t22-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/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