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BDBM50143872 (R)-5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-spiro[4.5]dec-8-yl]-3-methyl-5-oxo-pentanoic acid::CHEMBL65168

SMILES: C[C@@H](CC(O)=O)CC(=O)N1CCC2(CCN(C2=O)c2ccc(cc2)C(N)=N)CC1

InChI Key: InChIKey=UKLBLFWTHWVCSP-CQSZACIVSA-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 = 50143872   
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))
BDBM50143872
PNG
((R)-5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-...)
Show SMILES C[C@@H](CC(O)=O)CC(=O)N1CCC2(CCN(C2=O)c2ccc(cc2)C(N)=N)CC1
Show InChI InChI=1S/C21H28N4O4/c1-14(13-18(27)28)12-17(26)24-9-6-21(7-10-24)8-11-25(20(21)29)16-4-2-15(3-5-16)19(22)23/h2-5,14H,6-13H2,1H3,(H3,22,23)(H,27,28)/t14-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 112n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human platelet (h-PRP) aggregation induced by 20 microM ADP with PPACK


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))
BDBM50143872
PNG
((R)-5-[2-(4-Carbamimidoyl-phenyl)-1-oxo-2,8-diaza-...)
Show SMILES C[C@@H](CC(O)=O)CC(=O)N1CCC2(CCN(C2=O)c2ccc(cc2)C(N)=N)CC1
Show InChI InChI=1S/C21H28N4O4/c1-14(13-18(27)28)12-17(26)24-9-6-21(7-10-24)8-11-25(20(21)29)16-4-2-15(3-5-16)19(22)23/h2-5,14H,6-13H2,1H3,(H3,22,23)(H,27,28)/t14-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/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