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BDBM50143845 5-[2-(4-Carbamimidoyl-phenyl)-1,3-dioxo-2,8-diaza-spiro[4.5]dec-8-yl]-5-oxo-pentanoic acid::CHEMBL305315

SMILES: NC(=N)c1ccc(cc1)N1C(=O)CC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O

InChI Key: InChIKey=QFBUJMFWEAGKHG-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 = 50143845   
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))
BDBM50143845
PNG
(5-[2-(4-Carbamimidoyl-phenyl)-1,3-dioxo-2,8-diaza-...)
Show SMILES NC(=N)c1ccc(cc1)N1C(=O)CC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O
Show InChI InChI=1S/C20H24N4O5/c21-18(22)13-4-6-14(7-5-13)24-16(26)12-20(19(24)29)8-10-23(11-9-20)15(25)2-1-3-17(27)28/h4-7H,1-3,8-12H2,(H3,21,22)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 430n/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))
BDBM50143845
PNG
(5-[2-(4-Carbamimidoyl-phenyl)-1,3-dioxo-2,8-diaza-...)
Show SMILES NC(=N)c1ccc(cc1)N1C(=O)CC2(CCN(CC2)C(=O)CCCC(O)=O)C1=O
Show InChI InChI=1S/C20H24N4O5/c21-18(22)13-4-6-14(7-5-13)24-16(26)12-20(19(24)29)8-10-23(11-9-20)15(25)2-1-3-17(27)28/h4-7H,1-3,8-12H2,(H3,21,22)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 730n/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