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BDBM50323793 CHEMBL1214399::N-[(2S)-5-(6-Fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide

SMILES: CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)nc1

InChI Key: InChIKey=QXQSUBKWSHMXDP-INIZCTEOSA-N

Data: 10 IC50  1 EC50

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 11 hits for monomerid = 50323793   
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
GRIA2


(Homo sapiens (Human))
BDBM50323793
PNG
(CHEMBL1214399 | N-[(2S)-5-(6-Fluoro-3-pyridinyl)-2...)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)nc1
Show InChI InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1
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n/an/an/an/a 2.50E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GluR2


J Med Chem 53: 7271-9 (2010)


Article DOI: 10.1021/jm1000419
BindingDB Entry DOI: 10.7270/Q2W0965T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50323793
PNG
(CHEMBL1214399 | N-[(2S)-5-(6-Fluoro-3-pyridinyl)-2...)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)nc1
Show InChI InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9 after 10 mins


J Med Chem 53: 5801-12 (2010)


Article DOI: 10.1021/jm1005429
BindingDB Entry DOI: 10.7270/Q2FT8N0T
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50323793
PNG
(CHEMBL1214399 | N-[(2S)-5-(6-Fluoro-3-pyridinyl)-2...)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)nc1
Show InChI InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 after 10 mins


J Med Chem 53: 5801-12 (2010)


Article DOI: 10.1021/jm1005429
BindingDB Entry DOI: 10.7270/Q2FT8N0T
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50323793
PNG
(CHEMBL1214399 | N-[(2S)-5-(6-Fluoro-3-pyridinyl)-2...)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)nc1
Show InChI InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 after 10 mins


J Med Chem 53: 5801-12 (2010)


Article DOI: 10.1021/jm1005429
BindingDB Entry DOI: 10.7270/Q2FT8N0T
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50323793
PNG
(CHEMBL1214399 | N-[(2S)-5-(6-Fluoro-3-pyridinyl)-2...)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)nc1
Show InChI InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 after 10 mins


J Med Chem 53: 5801-12 (2010)


Article DOI: 10.1021/jm1005429
BindingDB Entry DOI: 10.7270/Q2FT8N0T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50323793
PNG
(CHEMBL1214399 | N-[(2S)-5-(6-Fluoro-3-pyridinyl)-2...)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)nc1
Show InChI InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 after 10 mins


J Med Chem 53: 5801-12 (2010)


Article DOI: 10.1021/jm1005429
BindingDB Entry DOI: 10.7270/Q2FT8N0T
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50323793
PNG
(CHEMBL1214399 | N-[(2S)-5-(6-Fluoro-3-pyridinyl)-2...)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)nc1
Show InChI InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19 after 10 mins


J Med Chem 53: 5801-12 (2010)


Article DOI: 10.1021/jm1005429
BindingDB Entry DOI: 10.7270/Q2FT8N0T
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50323793
PNG
(CHEMBL1214399 | N-[(2S)-5-(6-Fluoro-3-pyridinyl)-2...)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)nc1
Show InChI InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19 after 10 mins


J Med Chem 53: 5801-12 (2010)


Article DOI: 10.1021/jm1005429
BindingDB Entry DOI: 10.7270/Q2FT8N0T
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50323793
PNG
(CHEMBL1214399 | N-[(2S)-5-(6-Fluoro-3-pyridinyl)-2...)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)nc1
Show InChI InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9 after 10 mins


J Med Chem 53: 5801-12 (2010)


Article DOI: 10.1021/jm1005429
BindingDB Entry DOI: 10.7270/Q2FT8N0T
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50323793
PNG
(CHEMBL1214399 | N-[(2S)-5-(6-Fluoro-3-pyridinyl)-2...)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)nc1
Show InChI InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2 after 10 mins


J Med Chem 53: 5801-12 (2010)


Article DOI: 10.1021/jm1005429
BindingDB Entry DOI: 10.7270/Q2FT8N0T
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50323793
PNG
(CHEMBL1214399 | N-[(2S)-5-(6-Fluoro-3-pyridinyl)-2...)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)nc1
Show InChI InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 after 10 mins


J Med Chem 53: 5801-12 (2010)


Article DOI: 10.1021/jm1005429
BindingDB Entry DOI: 10.7270/Q2FT8N0T
More data for this
Ligand-Target Pair