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BDBM50440838 CHEMBL2431606

SMILES: CCOc1cc(ccc1OC(C)C)[C@@H](Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1ccccc1

InChI Key: InChIKey=SYQCWEBXGKFEOO-HHHXNRCGSA-N

Data: 2 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 2 hits for monomerid = 50440838   
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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50440838
PNG
(CHEMBL2431606)
Show SMILES CCOc1cc(ccc1OC(C)C)[C@@H](Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H29N3O5S/c1-4-35-26-17-21(11-13-25(26)36-19(2)3)27(28(32)31-37(33,34)24-8-6-5-7-9-24)30-23-12-10-22-18-29-15-14-20(22)16-23/h5-19,27,30H,4H2,1-3H3,(H,31,32)/t27-/m1/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
44n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R & D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate


Bioorg Med Chem Lett 23: 5244-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50440838
PNG
(CHEMBL2431606)
Show SMILES CCOc1cc(ccc1OC(C)C)[C@@H](Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H29N3O5S/c1-4-35-26-17-21(11-13-25(26)36-19(2)3)27(28(32)31-37(33,34)24-8-6-5-7-9-24)30-23-12-10-22-18-29-15-14-20(22)16-23/h5-19,27,30H,4H2,1-3H3,(H,31,32)/t27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>8.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R & D

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin)


Bioorg Med Chem Lett 23: 5244-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.027
BindingDB Entry DOI: 10.7270/Q2S46TDQ
More data for this
Ligand-Target Pair