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BDBM50423622 CHEMBL1614804

SMILES: O[C@@H](COc1ccc(Cl)cc1Cl)Cn1c2ccccc2n(CCN2CCCCC2)c1=N

InChI Key: InChIKey=QMRFKZWWZBZQKJ-LGWFVXIRNA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50423622   
Target
(Institution)
LigandTarget
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 V


(Homo sapiens)
BDBM50423622
PNG
(CHEMBL1614804)
Show SMILES O[C@@H](COc1ccc(Cl)cc1Cl)Cn1c2ccccc2n(CCN2CCCCC2)c1=N |r|
Show InChI InChI=1/C23H28Cl2N4O2/c24-17-8-9-22(19(25)14-17)31-16-18(30)15-29-21-7-3-2-6-20(21)28(23(29)26)13-12-27-10-4-1-5-11-27/h2-3,6-9,14,18,26,30H,1,4-5,10-13,15-16H2/t18-/s2
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 1.57E+4n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of human factor 5a light chain binding to immobilized phospholipid by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Coagulation factor V


(Homo sapiens)
BDBM50423622
PNG
(CHEMBL1614804)
Show SMILES O[C@@H](COc1ccc(Cl)cc1Cl)Cn1c2ccccc2n(CCN2CCCCC2)c1=N |r|
Show InChI InChI=1/C23H28Cl2N4O2/c24-17-8-9-22(19(25)14-17)31-16-18(30)15-29-21-7-3-2-6-20(21)28(23(29)26)13-12-27-10-4-1-5-11-27/h2-3,6-9,14,18,26,30H,1,4-5,10-13,15-16H2/t18-/s2
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PC sid
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PubMed
n/an/a 3.24E+4n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of factor 5a-mediated prothrombin activation in human plasma by prothrombinase assay


Citation and Details
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM50423622
PNG
(CHEMBL1614804)
Show SMILES O[C@@H](COc1ccc(Cl)cc1Cl)Cn1c2ccccc2n(CCN2CCCCC2)c1=N |r|
Show InChI InChI=1/C23H28Cl2N4O2/c24-17-8-9-22(19(25)14-17)31-16-18(30)15-29-21-7-3-2-6-20(21)28(23(29)26)13-12-27-10-4-1-5-11-27/h2-3,6-9,14,18,26,30H,1,4-5,10-13,15-16H2/t18-/s2
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n/an/a 7.80E+3n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of human factor 8 binding to immobilized phospholipid by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor V


(Homo sapiens)
BDBM50423622
PNG
(CHEMBL1614804)
Show SMILES O[C@@H](COc1ccc(Cl)cc1Cl)Cn1c2ccccc2n(CCN2CCCCC2)c1=N |r|
Show InChI InChI=1/C23H28Cl2N4O2/c24-17-8-9-22(19(25)14-17)31-16-18(30)15-29-21-7-3-2-6-20(21)28(23(29)26)13-12-27-10-4-1-5-11-27/h2-3,6-9,14,18,26,30H,1,4-5,10-13,15-16H2/t18-/s2
PDB
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PC cid
PC sid
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PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 5a C2 domain binding to immobilized phospholipid by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair