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BDBM50192665 CHEMBL3892579

SMILES: Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1

InChI Key: InChIKey=RDQXNTXNNZITKD-UHFFFAOYNA-N

Data: 14 IC50

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 14 hits for monomerid = 50192665   
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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
PDB
MMDB

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n/an/a 1.80E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.1 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 340n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel Cav3.3 (unknown origin) expressed in HEK293 cells assessed as calcium influx by Fluo-4-AM dye-based FLIPR assay


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 29n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of T-type calcium channel Cav3.1 (unknown origin) expressed in HEK293 cells assessed as calcium influx by Fluo-4-AM dye-based FLIPR assay


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.3 expressed in CHO cells assessed as inhibition of calcium tail current at -90 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 450n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.1 expressed in CHO cells assessed as inhibition of calcium tail current at -60 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 4.40E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) using testosterone as substrate


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium infl...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
UniProtKB/SwissProt

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n/an/a 33n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of CaCl2-induced calcium in...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.3 expressed in CHO cells assessed as inhibition of calcium tail current at -60 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50192665
PNG
(CHEMBL3892579)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
Show InChI InChI=1/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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n/an/a 220n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human T-type calcium channel Cav3.2 expressed in CHO cells assessed as inhibition of calcium tail current at -60 mV holding potential m...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair