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BDBM50143868 3-{[3-(4-Carbamimidoyl-phenyl)-1-methyl-2,4-dioxo-1,3,8-triaza-spiro[4.5]decane-8-carbonyl]-amino}-3-phenyl-propionic acid::CHEMBL63500

SMILES: CN1C(=O)N(C(=O)C11CCN(CC1)C(=O)NC(CC(O)=O)c1ccccc1)c1ccc(cc1)C(N)=N

InChI Key: InChIKey=MVQSMJLSSPOGKY-UHFFFAOYSA-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 = 50143868   
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))
BDBM50143868
PNG
(3-{[3-(4-Carbamimidoyl-phenyl)-1-methyl-2,4-dioxo-...)
Show SMILES CN1C(=O)N(C(=O)C11CCN(CC1)C(=O)NC(CC(O)=O)c1ccccc1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H28N6O5/c1-29-24(36)31(18-9-7-17(8-10-18)21(26)27)22(34)25(29)11-13-30(14-12-25)23(35)28-19(15-20(32)33)16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H3,26,27)(H,28,35)(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 103n/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
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50143868
PNG
(3-{[3-(4-Carbamimidoyl-phenyl)-1-methyl-2,4-dioxo-...)
Show SMILES CN1C(=O)N(C(=O)C11CCN(CC1)C(=O)NC(CC(O)=O)c1ccccc1)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H28N6O5/c1-29-24(36)31(18-9-7-17(8-10-18)21(26)27)22(34)25(29)11-13-30(14-12-25)23(35)28-19(15-20(32)33)16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H3,26,27)(H,28,35)(H,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/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