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BDBM50442090 CHEMBL2441049

SMILES: [O-][N+](=O)c1ccc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)cc1

InChI Key: InChIKey=MYDSQYUOGXJDOZ-UHFFFAOYSA-N

Data: 2 KI

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 = 50442090   
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
Thrombin


(Bos taurus (Bovine))
BDBM50442090
PNG
(CHEMBL2441049)
Show SMILES [O-][N+](=O)c1ccc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)cc1
Show InChI InChI=1S/C24H24N4O4/c29-24(19-10-14-27(15-11-19)21-8-12-25-13-9-21)26-20-2-1-3-23(16-20)32-17-18-4-6-22(7-5-18)28(30)31/h1-9,12-13,16,19H,10-11,14-15,17H2,(H,26,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.85E+3n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50442090
PNG
(CHEMBL2441049)
Show SMILES [O-][N+](=O)c1ccc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)cc1
Show InChI InChI=1S/C24H24N4O4/c29-24(19-10-14-27(15-11-19)21-8-12-25-13-9-21)26-20-2-1-3-23(16-20)32-17-18-4-6-22(7-5-18)28(30)31/h1-9,12-13,16,19H,10-11,14-15,17H2,(H,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using Z-D-Arg-Gly-Arg-p-NA as substrate by chromogenic assay


J Med Chem 56: 8696-711 (2013)


Article DOI: 10.1021/jm401169a
BindingDB Entry DOI: 10.7270/Q2SN0BDT
More data for this
Ligand-Target Pair