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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 = 'BDBM50059699'   
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))
BDBM50059699
PNG
(7-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-3...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)C(=O)NCCCCC(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C23H26N4O3/c24-22(25)17-9-10-19-18(12-17)13-20(27-19)23(30)26-11-5-4-8-16(14-21(28)29)15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,16,27H,4-5,8,11,14H2,(H3,24,25)(H,26,30)(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 460n/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))
BDBM50059699
PNG
(7-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-3...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)C(=O)NCCCCC(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C23H26N4O3/c24-22(25)17-9-10-19-18(12-17)13-20(27-19)23(30)26-11-5-4-8-16(14-21(28)29)15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,16,27H,4-5,8,11,14H2,(H3,24,25)(H,26,30)(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.90E+3n/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