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BDBM50442097 CHEMBL2441059

SMILES: Nc1ccc(cc1)N1CCC(CC1)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1

InChI Key: InChIKey=KRRDPEYXRXJAPC-UHFFFAOYSA-N

Data: 2 KI

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

Found 2 hits for monomerid = 50442097   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50442097
PNG
(CHEMBL2441059)
Show SMILES Nc1ccc(cc1)N1CCC(CC1)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1
Show InChI InChI=1S/C25H26FN3O2/c26-20-6-4-18(5-7-20)17-31-24-3-1-2-22(16-24)28-25(30)19-12-14-29(15-13-19)23-10-8-21(27)9-11-23/h1-11,16,19H,12-15,17,27H2,(H,28,30)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.35E+4n/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
Thrombin


(Bos taurus (Bovine))
BDBM50442097
PNG
(CHEMBL2441059)
Show SMILES Nc1ccc(cc1)N1CCC(CC1)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1
Show InChI InChI=1S/C25H26FN3O2/c26-20-6-4-18(5-7-20)17-31-24-3-1-2-22(16-24)28-25(30)19-12-14-29(15-13-19)23-10-8-21(27)9-11-23/h1-11,16,19H,12-15,17,27H2,(H,28,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.50E+5n/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