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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 = 'BDBM50067217'   
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))
BDBM50067217
PNG
(CHEMBL323649 | {(S)-6-[4-(Imino-morpholin-4-yl-met...)
Show SMILES OC(=O)C[C@H]1COc2ccc(NC(=O)c3ccc(cc3)C(=N)N3CCOCC3)cc2C1
Show InChI InChI=1S/C23H25N3O5/c24-22(26-7-9-30-10-8-26)16-1-3-17(4-2-16)23(29)25-19-5-6-20-18(13-19)11-15(14-31-20)12-21(27)28/h1-6,13,15,24H,7-12,14H2,(H,25,29)(H,27,28)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.120n/an/an/an/an/an/a



Mitsui Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Fibronogen binding to Immobilized Human Fibrinogen Receptor.


J Med Chem 41: 4036-52 (1998)


Article DOI: 10.1021/jm9801859
BindingDB Entry DOI: 10.7270/Q24M93N7
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50067217
PNG
(CHEMBL323649 | {(S)-6-[4-(Imino-morpholin-4-yl-met...)
Show SMILES OC(=O)C[C@H]1COc2ccc(NC(=O)c3ccc(cc3)C(=N)N3CCOCC3)cc2C1
Show InChI InChI=1S/C23H25N3O5/c24-22(26-7-9-30-10-8-26)16-1-3-17(4-2-16)23(29)25-19-5-6-20-18(13-19)11-15(14-31-20)12-21(27)28/h1-6,13,15,24H,7-12,14H2,(H,25,29)(H,27,28)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 35n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of gel filtered platelet aggregation induced by ADP.


J Med Chem 43: 3453-73 (2000)


BindingDB Entry DOI: 10.7270/Q2ZS2X79
More data for this
Ligand-Target Pair