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BDBM228632 US9345793, 13::US9744252, Example 13

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

InChI Key: InChIKey=LWGPKVXXVDWZFF-KCWPFWIISA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 228632   
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))
BDBM228632
PNG
(US9345793, 13 | US9744252, Example 13)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(OCc2ccc(C#N)c(F)c2)c1
Show InChI InChI=1S/C30H36FN5O5/c31-26-12-21(3-5-22(26)15-32)19-41-25-13-24(16-34-17-25)27(14-29(38)39)35-30(40)23-2-1-11-36(18-23)28(37)6-4-20-7-9-33-10-8-20/h3,5,12-13,16-17,20,23,27,33H,1-2,4,6-11,14,18-19H2,(H,35,40)(H,38,39)/t23-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 7n/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
BindingDB Entry DOI: 10.7270/Q2F76FN7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM228632
PNG
(US9345793, 13 | US9744252, Example 13)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C1)C(=O)CCC1CCNCC1)c1cncc(OCc2ccc(C#N)c(F)c2)c1
Show InChI InChI=1S/C30H36FN5O5/c31-26-12-21(3-5-22(26)15-32)19-41-25-13-24(16-34-17-25)27(14-29(38)39)35-30(40)23-2-1-11-36(18-23)28(37)6-4-20-7-9-33-10-8-20/h3,5,12-13,16-17,20,23,27,33H,1-2,4,6-11,14,18-19H2,(H,35,40)(H,38,39)/t23-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/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