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BDBM50433784 CHEMBL2381898

SMILES: CN(C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1

InChI Key: InChIKey=MDNZIGDKCDGDNH-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50433784   
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
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50433784
PNG
(CHEMBL2381898)
Show SMILES CN(C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1
Show InChI InChI=1S/C31H33FN4O2/c1-31(2,3)24-13-8-9-15-28(24)38-29-27(14-10-18-33-29)35-30(37)34-26-17-16-21(19-25(26)32)23-12-7-6-11-22(23)20-36(4)5/h6-19H,20H2,1-5H3,(H2,34,35,37)
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PubMed
17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 23: 3239-43 (2013)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (human))
BDBM50433784
PNG
(CHEMBL2381898)
Show SMILES CN(C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1
Show InChI InChI=1S/C31H33FN4O2/c1-31(2,3)24-13-8-9-15-28(24)38-29-27(14-10-18-33-29)35-30(37)34-26-17-16-21(19-25(26)32)23-12-7-6-11-22(23)20-36(4)5/h6-19H,20H2,1-5H3,(H2,34,35,37)
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>1.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to factor-7a (unknown origin)


Bioorg Med Chem Lett 23: 3239-43 (2013)

More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50433784
PNG
(CHEMBL2381898)
Show SMILES CN(C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1
Show InChI InChI=1S/C31H33FN4O2/c1-31(2,3)24-13-8-9-15-28(24)38-29-27(14-10-18-33-29)35-30(37)34-26-17-16-21(19-25(26)32)23-12-7-6-11-22(23)20-36(4)5/h6-19H,20H2,1-5H3,(H2,34,35,37)
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>2.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to factor-10a (unknown origin)


Bioorg Med Chem Lett 23: 3239-43 (2013)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50433784
PNG
(CHEMBL2381898)
Show SMILES CN(C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1
Show InChI InChI=1S/C31H33FN4O2/c1-31(2,3)24-13-8-9-15-28(24)38-29-27(14-10-18-33-29)35-30(37)34-26-17-16-21(19-25(26)32)23-12-7-6-11-22(23)20-36(4)5/h6-19H,20H2,1-5H3,(H2,34,35,37)
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>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to P2Y12 receptor (unknown origin)


Bioorg Med Chem Lett 23: 3239-43 (2013)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50433784
PNG
(CHEMBL2381898)
Show SMILES CN(C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1
Show InChI InChI=1S/C31H33FN4O2/c1-31(2,3)24-13-8-9-15-28(24)38-29-27(14-10-18-33-29)35-30(37)34-26-17-16-21(19-25(26)32)23-12-7-6-11-22(23)20-36(4)5/h6-19H,20H2,1-5H3,(H2,34,35,37)
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PubMed
>3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to P2Y2 receptor (unknown origin)


Bioorg Med Chem Lett 23: 3239-43 (2013)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50433784
PNG
(CHEMBL2381898)
Show SMILES CN(C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1
Show InChI InChI=1S/C31H33FN4O2/c1-31(2,3)24-13-8-9-15-28(24)38-29-27(14-10-18-33-29)35-30(37)34-26-17-16-21(19-25(26)32)23-12-7-6-11-22(23)20-36(4)5/h6-19H,20H2,1-5H3,(H2,34,35,37)
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PubMed
>5.50E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to factor-11a (unknown origin)


Bioorg Med Chem Lett 23: 3239-43 (2013)

More data for this
Ligand-Target Pair