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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 = 'BDBM50059710'   
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))
BDBM50059710
PNG
(3-Butyl-7-[(5-carbamimidoyl-1H-indole-2-carbonyl)-...)
Show SMILES CCCCC(CCCCNC(=O)c1cc2cc(ccc2[nH]1)C(N)=N)CC(O)=O
Show InChI InChI=1S/C21H30N4O3/c1-2-3-6-14(11-19(26)27)7-4-5-10-24-21(28)18-13-16-12-15(20(22)23)8-9-17(16)25-18/h8-9,12-14,25H,2-7,10-11H2,1H3,(H3,22,23)(H,24,28)(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 790n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonism of fibrinogen binding to a purified human fibrinogen receptor preparation.


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059710
PNG
(3-Butyl-7-[(5-carbamimidoyl-1H-indole-2-carbonyl)-...)
Show SMILES CCCCC(CCCCNC(=O)c1cc2cc(ccc2[nH]1)C(N)=N)CC(O)=O
Show InChI InChI=1S/C21H30N4O3/c1-2-3-6-14(11-19(26)27)7-4-5-10-24-21(28)18-13-16-12-15(20(22)23)8-9-17(16)25-18/h8-9,12-14,25H,2-7,10-11H2,1H3,(H3,22,23)(H,24,28)(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.53E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the platelet GPIIb-IIIa receptor measured as ability to attenuate ADP-induced (fibrinogen-mediated) platelet aggregation in human plate...


J Med Chem 40: 2843-57 (1997)


Article DOI: 10.1021/jm970020k
BindingDB Entry DOI: 10.7270/Q24M93MS
More data for this
Ligand-Target Pair