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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50004338'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004338
PNG
(N-(1-Carboxy-2-phenyl-ethyl)-3-[8-(diaminomethyl-a...)
Show SMILES NC(=[NH2+])NCCCCCCCC(=O)N[C@@H](CC([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C22H33N5O6/c23-22(24)25-12-8-3-1-2-7-11-18(28)26-16(14-19(29)30)20(31)27-17(21(32)33)13-15-9-5-4-6-10-15/h4-6,9-10,16-17H,1-3,7-8,11-14H2,(H,26,28)(H,27,31)(H,29,30)(H,32,33)(H4,23,24,25)/p-1/t16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Searle Research& Development

Curated by ChEMBL


Assay Description
Inhibition of Fibrinogen receptor binding


J Med Chem 35: 4914-7 (1993)


Article DOI: 10.1021/jm00104a019
BindingDB Entry DOI: 10.7270/Q2319WHS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50004338
PNG
(N-(1-Carboxy-2-phenyl-ethyl)-3-[8-(diaminomethyl-a...)
Show SMILES NC(=[NH2+])NCCCCCCCC(=O)N[C@@H](CC([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C22H33N5O6/c23-22(24)25-12-8-3-1-2-7-11-18(28)26-16(14-19(29)30)20(31)27-17(21(32)33)13-15-9-5-4-6-10-15/h4-6,9-10,16-17H,1-3,7-8,11-14H2,(H,26,28)(H,27,31)(H,29,30)(H,32,33)(H4,23,24,25)/p-1/t16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Searle Research& Development

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation (PRP)


J Med Chem 35: 4914-7 (1993)


Article DOI: 10.1021/jm00104a019
BindingDB Entry DOI: 10.7270/Q2319WHS
More data for this
Ligand-Target Pair