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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50059707'   
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))
BDBM50059707
PNG
(7-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-h...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C17H22N4O3/c18-16(19)11-6-7-13-12(9-11)10-14(21-13)17(24)20-8-4-2-1-3-5-15(22)23/h6-7,9-10,21H,1-5,8H2,(H3,18,19)(H,20,24)(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 680n/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))
BDBM50059707
PNG
(7-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-h...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C17H22N4O3/c18-16(19)11-6-7-13-12(9-11)10-14(21-13)17(24)20-8-4-2-1-3-5-15(22)23/h6-7,9-10,21H,1-5,8H2,(H3,18,19)(H,20,24)(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 (KDR)


Bioorg Med Chem Lett 6: 81-86 (1996)


Article DOI: 10.1016/0960-894X(95)00563-9
BindingDB Entry DOI: 10.7270/Q2445MGV
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50059707
PNG
(7-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-h...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)C(=O)NCCCCCCC(O)=O
Show InChI InChI=1S/C17H22N4O3/c18-16(19)11-6-7-13-12(9-11)10-14(21-13)17(24)20-8-4-2-1-3-5-15(22)23/h6-7,9-10,21H,1-5,8H2,(H3,18,19)(H,20,24)(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.80E+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