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BDBM50100344 (S)-2-Butoxycarbonylamino-5-oxo-5-(9-pyridin-4-yl-3,9-diaza-spiro[5.5]undec-3-yl)-pentanoic acid::CHEMBL26550

SMILES: CCCCOC(=O)N[C@@H](CCC(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O

InChI Key: InChIKey=GPKDWNWVODHEAY-FQEVSTJZSA-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 = 50100344   
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))
BDBM50100344
PNG
((S)-2-Butoxycarbonylamino-5-oxo-5-(9-pyridin-4-yl-...)
Show SMILES CCCCOC(=O)N[C@@H](CCC(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O
Show InChI InChI=1S/C24H36N4O5/c1-2-3-18-33-23(32)26-20(22(30)31)4-5-21(29)28-16-10-24(11-17-28)8-14-27(15-9-24)19-6-12-25-13-7-19/h6-7,12-13,20H,2-5,8-11,14-18H2,1H3,(H,26,32)(H,30,31)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 4n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of binding of fibrinogen to purified human GPIIb-IIIa in ELISA


Bioorg Med Chem Lett 11: 1289-92 (2001)


BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50100344
PNG
((S)-2-Butoxycarbonylamino-5-oxo-5-(9-pyridin-4-yl-...)
Show SMILES CCCCOC(=O)N[C@@H](CCC(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1)C(O)=O
Show InChI InChI=1S/C24H36N4O5/c1-2-3-18-33-23(32)26-20(22(30)31)4-5-21(29)28-16-10-24(11-17-28)8-14-27(15-9-24)19-6-12-25-13-7-19/h6-7,12-13,20H,2-5,8-11,14-18H2,1H3,(H,26,32)(H,30,31)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



COR Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibition of binding of fibrinogen to purified human GPIIb-IIIa in ELISA


Bioorg Med Chem Lett 11: 1289-92 (2001)


BindingDB Entry DOI: 10.7270/Q22N51KQ
More data for this
Ligand-Target Pair