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BDBM50435621 CHEMBL2391190

SMILES: OC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@H](CNCc2ccc(cc2)-c2nc(=O)o[nH]2)OC1=O

InChI Key: InChIKey=FJUJZGZXOCKUHP-NRFANRHFSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50435621   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM50435621
PNG
(CHEMBL2391190)
Show SMILES OC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@H](CNCc2ccc(cc2)-c2nc(=O)o[nH]2)OC1=O
Show InChI InChI=1S/C25H27N5O6/c31-23(32)18-9-11-29(12-10-18)19-5-7-20(8-6-19)30-15-21(35-25(30)34)14-26-13-16-1-3-17(4-2-16)22-27-24(33)36-28-22/h1-8,18,21,26H,9-15H2,(H,31,32)(H,27,28,33)/t21-/m0/s1
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PC cid
PC sid
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Similars

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



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophot...


Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50435621
PNG
(CHEMBL2391190)
Show SMILES OC(=O)C1CCN(CC1)c1ccc(cc1)N1C[C@H](CNCc2ccc(cc2)-c2nc(=O)o[nH]2)OC1=O
Show InChI InChI=1S/C25H27N5O6/c31-23(32)18-9-11-29(12-10-18)19-5-7-20(8-6-19)30-15-21(35-25(30)34)14-26-13-16-1-3-17(4-2-16)22-27-24(33)36-28-22/h1-8,18,21,26H,9-15H2,(H,31,32)(H,27,28,33)/t21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 890n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay


Eur J Med Chem 64: 302-13 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.056
BindingDB Entry DOI: 10.7270/Q2Q241N8
More data for this
Ligand-Target Pair