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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
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PC sid
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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


Proc Natl Acad Sci USA 104: 12697-702 (2007)

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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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


Proc Natl Acad Sci USA 104: 12697-702 (2007)

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


Proc Natl Acad Sci USA 104: 12697-702 (2007)

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
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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


Proc Natl Acad Sci USA 104: 12697-702 (2007)

More data for this
Ligand-Target Pair