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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 = 'BDBM50010174'   
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))
BDBM50010174
PNG
(3-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C14H25N7O6/c1-7(22)20-8(3-2-4-18-14(16)17)13(27)19-6-10(23)21-9(12(15)26)5-11(24)25/h8-9H,2-6H2,1H3,(H2,15,26)(H,19,27)(H,20,22)(H,21,23)(H,24,25)(H4,16,17,18)/t8-,9-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.20E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Tested for inhibition of fibrinogen binding to purified GPIIb/IIIa isolated from human platelets and reconstituted in liposomes


J Med Chem 37: 769-80 (1994)


Article DOI: 10.1021/jm00032a009
BindingDB Entry DOI: 10.7270/Q2445KJB
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50010174
PNG
(3-[4-amino(imino)methylamino-1-methylcarboxamido-(...)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C14H25N7O6/c1-7(22)20-8(3-2-4-18-14(16)17)13(27)19-6-10(23)21-9(12(15)26)5-11(24)25/h8-9H,2-6H2,1H3,(H2,15,26)(H,19,27)(H,20,22)(H,21,23)(H,24,25)(H4,16,17,18)/t8-,9-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.38E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Research and Development

Curated by ChEMBL


Assay Description
Inhibition of canine platelet-rich plasma agregation induced by ADP


J Med Chem 34: 3114-25 (1991)


Article DOI: 10.1021/jm00114a022
BindingDB Entry DOI: 10.7270/Q2445KF0
More data for this
Ligand-Target Pair