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BDBM50404134 CHEMBL358275

SMILES: Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccccc1

InChI Key: InChIKey=FYZHNHHNHSEJGK-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50404134   
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))
BDBM50404134
PNG
(CHEMBL358275)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H17ClN2O2S/c1-14-11-12-18(17(13-14)22(27)25-15-7-3-2-4-8-15)26-23(28)21-20(24)16-9-5-6-10-19(16)29-21/h2-13H,1H3,(H,25,27)(H,26,28)
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
19n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human factor Xa


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50404134
PNG
(CHEMBL358275)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H17ClN2O2S/c1-14-11-12-18(17(13-14)22(27)25-15-7-3-2-4-8-15)26-23(28)21-20(24)16-9-5-6-10-19(16)29-21/h2-13H,1H3,(H,25,27)(H,26,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50404134
PNG
(CHEMBL358275)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H17ClN2O2S/c1-14-11-12-18(17(13-14)22(27)25-15-7-3-2-4-8-15)26-23(28)21-20(24)16-9-5-6-10-19(16)29-21/h2-13H,1H3,(H,25,27)(H,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Inhibition constant against human thrombin


Bioorg Med Chem Lett 13: 507-11 (2003)


BindingDB Entry DOI: 10.7270/Q21N829C
More data for this
Ligand-Target Pair