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BDBM50143844 3-{[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spiro[4.5]decane-8-carbonyl]-amino}-2-(toluene-4-sulfonylamino)-propionic acid::CHEMBL66367

SMILES: Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)N1CCC2(CCN(C2=O)c2ccc(cc2)C(N)=N)CC1)C(O)=O

InChI Key: InChIKey=FAUWCTMBSRSLQY-NRFANRHFSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50143844   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50143844
PNG
(3-{[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spi...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)N1CCC2(CCN(C2=O)c2ccc(cc2)C(N)=N)CC1)C(O)=O
Show InChI InChI=1S/C26H32N6O6S/c1-17-2-8-20(9-3-17)39(37,38)30-21(23(33)34)16-29-25(36)31-13-10-26(11-14-31)12-15-32(24(26)35)19-6-4-18(5-7-19)22(27)28/h2-9,21,30H,10-16H2,1H3,(H3,27,28)(H,29,36)(H,33,34)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of the binding of fibrinogen to purified human GPIIb-IIIa in a 96-well format (ELISA assay)


J Med Chem 47: 2037-61 (2004)


Article DOI: 10.1021/jm030354b
BindingDB Entry DOI: 10.7270/Q2FQ9W1H
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50143844
PNG
(3-{[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spi...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)N1CCC2(CCN(C2=O)c2ccc(cc2)C(N)=N)CC1)C(O)=O
Show InChI InChI=1S/C26H32N6O6S/c1-17-2-8-20(9-3-17)39(37,38)30-21(23(33)34)16-29-25(36)31-13-10-26(11-14-31)12-15-32(24(26)35)19-6-4-18(5-7-19)22(27)28/h2-9,21,30H,10-16H2,1H3,(H3,27,28)(H,29,36)(H,33,34)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation induced by 20 microM adenosine 5-diphosphate (ADP) in citrated human platelet rich plasma (h-PRP)


J Med Chem 47: 2037-61 (2004)


Article DOI: 10.1021/jm030354b
BindingDB Entry DOI: 10.7270/Q2FQ9W1H
More data for this
Ligand-Target Pair