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BDBM50404152 CHEMBL148687

SMILES: Cc1cc(NC(=O)c2sc3ccccc3c2Cl)c(cc1Cl)C(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=YHZVBOFYHUAIBQ-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 = 50404152   
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))
BDBM50404152
PNG
(CHEMBL148687)
Show SMILES Cc1cc(NC(=O)c2sc3ccccc3c2Cl)c(cc1Cl)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H15Cl3N2O2S/c1-12-10-18(28-23(30)21-20(26)15-4-2-3-5-19(15)31-21)16(11-17(12)25)22(29)27-14-8-6-13(24)7-9-14/h2-11H,1H3,(H,27,29)(H,28,30)
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
11n/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
Prothrombin


(Homo sapiens (Human))
BDBM50404152
PNG
(CHEMBL148687)
Show SMILES Cc1cc(NC(=O)c2sc3ccccc3c2Cl)c(cc1Cl)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H15Cl3N2O2S/c1-12-10-18(28-23(30)21-20(26)15-4-2-3-5-19(15)31-21)16(11-17(12)25)22(29)27-14-8-6-13(24)7-9-14/h2-11H,1H3,(H,27,29)(H,28,30)
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
Trypsin


(Homo sapiens (Human))
BDBM50404152
PNG
(CHEMBL148687)
Show SMILES Cc1cc(NC(=O)c2sc3ccccc3c2Cl)c(cc1Cl)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H15Cl3N2O2S/c1-12-10-18(28-23(30)21-20(26)15-4-2-3-5-19(15)31-21)16(11-17(12)25)22(29)27-14-8-6-13(24)7-9-14/h2-11H,1H3,(H,27,29)(H,28,30)
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