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BDBM50126928 CHEMBL3628837

SMILES: CC(O)[C@]1(CCc2nn3cc(C)ccc3c2C1)NC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1

InChI Key: InChIKey=PJDJHOJIOCPXKM-PYFQUHSISA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50126928   
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 IX


(Homo sapiens (Human))
BDBM50126928
PNG
(CHEMBL3628837)
Show SMILES CC(O)[C@]1(CCc2nn3cc(C)ccc3c2C1)NC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1 |r|
Show InChI InChI=1S/C24H24Cl2N6O2/c1-13-4-5-21-17-10-24(14(2)33,7-6-20(17)30-31(21)11-13)28-23(34)22-18(25)8-16(9-19(22)26)32-12-27-15(3)29-32/h4-5,8-9,11-12,14,33H,6-7,10H2,1-3H3,(H,28,34)/t14?,24-/m1/s1
PDB
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PC cid
PC sid
UniChem

Similars

PubMed
13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human F9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 5437-43 (2015)


BindingDB Entry DOI: 10.7270/Q2B859X6
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50126928
PNG
(CHEMBL3628837)
Show SMILES CC(O)[C@]1(CCc2nn3cc(C)ccc3c2C1)NC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1 |r|
Show InChI InChI=1S/C24H24Cl2N6O2/c1-13-4-5-21-17-10-24(14(2)33,7-6-20(17)30-31(21)11-13)28-23(34)22-18(25)8-16(9-19(22)26)32-12-27-15(3)29-32/h4-5,8-9,11-12,14,33H,6-7,10H2,1-3H3,(H,28,34)/t14?,24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
258n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human F10a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay


Bioorg Med Chem Lett 25: 5437-43 (2015)


BindingDB Entry DOI: 10.7270/Q2B859X6
More data for this
Ligand-Target Pair