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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 = 'BDBM50368321'   
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))
BDBM50368321
PNG
(CHEMBL1790447)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-[#6](-[#8])=O
Show InChI InChI=1S/C21H34N8O10S/c1-9(30)16-19(37)27-10(3-2-4-24-21(22)23)17(35)25-6-13(31)26-11(5-15(33)34)18(36)28-12(20(38)39)7-40-8-14(32)29-16/h9-12,16,30H,2-8H2,1H3,(H,25,35)(H,26,31)(H,27,37)(H,28,36)(H,29,32)(H,33,34)(H,38,39)(H4,22,23,24)/t9-,10+,11+,12+,16+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.30n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of fibrinogen receptor


J Med Chem 35: 2040-8 (1992)


BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50368321
PNG
(CHEMBL1790447)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-[#6](-[#8])=O
Show InChI InChI=1S/C21H34N8O10S/c1-9(30)16-19(37)27-10(3-2-4-24-21(22)23)17(35)25-6-13(31)26-11(5-15(33)34)18(36)28-12(20(38)39)7-40-8-14(32)29-16/h9-12,16,30H,2-8H2,1H3,(H,25,35)(H,26,31)(H,27,37)(H,28,36)(H,29,32)(H,33,34)(H,38,39)(H4,22,23,24)/t9-,10+,11+,12+,16+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 240n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 35: 2040-8 (1992)


BindingDB Entry DOI: 10.7270/Q2S1833Q
More data for this
Ligand-Target Pair