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BDBM50143851 5-[3-(4-Carbamimidoyl-phenyl)-1-methyl-2,4-dioxo-1,3,8-triaza-spiro[4.5]dec-8-yl]-2-(3,5-dimethyl-isoxazole-4-sulfonylamino)-5-oxo-pentanoic acid::CHEMBL62813

SMILES: CN1C(=O)N(C(=O)C11CCN(CC1)C(=O)CC[C@H](NS(=O)(=O)c1c(C)noc1C)C(O)=O)c1ccc(cc1)C(N)=N

InChI Key: InChIKey=ZQUWZIRXWNVFRR-SFHVURJKSA-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 = 50143851   
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))
BDBM50143851
PNG
(5-[3-(4-Carbamimidoyl-phenyl)-1-methyl-2,4-dioxo-1...)
Show SMILES CN1C(=O)N(C(=O)C11CCN(CC1)C(=O)CC[C@H](NS(=O)(=O)c1c(C)noc1C)C(O)=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H31N7O8S/c1-14-20(15(2)40-28-14)41(38,39)29-18(22(34)35)8-9-19(33)31-12-10-25(11-13-31)23(36)32(24(37)30(25)3)17-6-4-16(5-7-17)21(26)27/h4-7,18,29H,8-13H2,1-3H3,(H3,26,27)(H,34,35)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/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))
BDBM50143851
PNG
(5-[3-(4-Carbamimidoyl-phenyl)-1-methyl-2,4-dioxo-1...)
Show SMILES CN1C(=O)N(C(=O)C11CCN(CC1)C(=O)CC[C@H](NS(=O)(=O)c1c(C)noc1C)C(O)=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H31N7O8S/c1-14-20(15(2)40-28-14)41(38,39)29-18(22(34)35)8-9-19(33)31-12-10-25(11-13-31)23(36)32(24(37)30(25)3)17-6-4-16(5-7-17)21(26)27/h4-7,18,29H,8-13H2,1-3H3,(H3,26,27)(H,34,35)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 118n/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