BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 236.7
BDBM77616
Wt: 226.3
BDBM77617
Purchase
Wt: 240.3
BDBM77618
Wt: 228.2
BDBM77619
Purchase
Wt: 212.2
BDBM77620
Purchase
Wt: 226.3
BDBM77621
Wt: 240.3
BDBM77623
Wt: 226.3
BDBM77624
Wt: 240.3
BDBM77625
Wt: 244.3
BDBM77626
Wt: 214.3
BDBM79618
Purchase
Wt: 242.3
BDBM79622
Wt: 230.2
BDBM79624
Wt: 226.3
BDBM79625
Purchase
Wt: 240.3
BDBM79628
Displayed 1 to 15 (of 27 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 15 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
alternatively spliced Trp4


(Mus musculus)
BDBM79628
PNG
(2-(1-azepanyl)-4-methylquinoline;2,2,2-trifluoroac...)
Show SMILES Cc1cc(nc2ccccc12)N1CCCCCC1
Show InChI InChI=1S/C16H20N2/c1-13-12-16(18-10-6-2-3-7-11-18)17-15-9-5-4-8-14(13)15/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.96E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
The inhibitory effects of test compounds on TRPC4 channels were evaluated in electrophysiological assays using a QPatch16 automated electrophysiology...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2T43RK9
More data for this
Ligand-Target Pair
alternatively spliced Trp4


(Mus musculus)
BDBM77625
PNG
(6-ethyl-4-methyl-2-(1-pyrrolidinyl)quinoline;2,2,2...)
Show SMILES CCc1ccc2nc(cc(C)c2c1)N1CCCC1
Show InChI InChI=1S/C16H20N2/c1-3-13-6-7-15-14(11-13)12(2)10-16(17-15)18-8-4-5-9-18/h6-7,10-11H,3-5,8-9H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 2.05E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Concentration-Response Relationship Observed Source (MLPCN Center Name): ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JS9NWF
More data for this
Ligand-Target Pair
alternatively spliced Trp4


(Mus musculus)
BDBM77617
PNG
(4-methyl-2-(1-piperidinyl)quinoline | 4-methyl-2-p...)
Show SMILES Cc1cc(nc2ccccc12)N1CCCCC1
Show InChI InChI=1S/C15H18N2/c1-12-11-15(17-9-5-2-6-10-17)16-14-8-4-3-7-13(12)14/h3-4,7-8,11H,2,5-6,9-10H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 2.63E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Concentration-Response Relationship Observed Source (MLPCN Center Name): ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JS9NWF
More data for this
Ligand-Target Pair
alternatively spliced Trp4


(Mus musculus)
BDBM77618
PNG
(4-methyl-2-(4-methyl-1-piperidinyl)quinoline;2,2,2...)
Show SMILES CC1CCN(CC1)c1cc(C)c2ccccc2n1
Show InChI InChI=1S/C16H20N2/c1-12-7-9-18(10-8-12)16-11-13(2)14-5-3-4-6-15(14)17-16/h3-6,11-12H,7-10H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 3.14E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Concentration-Response Relationship Observed Source (MLPCN Center Name): ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JS9NWF
More data for this
Ligand-Target Pair
alternatively spliced Trp4


(Mus musculus)
BDBM77620
PNG
(4-methyl-2-(1-pyrrolidinyl)quinoline;2,2,2-trifluo...)
Show SMILES Cc1cc(nc2ccccc12)N1CCCC1
Show InChI InChI=1S/C14H16N2/c1-11-10-14(16-8-4-5-9-16)15-13-7-3-2-6-12(11)13/h2-3,6-7,10H,4-5,8-9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 3.59E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Concentration-Response Relationship Observed Source (MLPCN Center Name): ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JS9NWF
More data for this
Ligand-Target Pair
alternatively spliced Trp4


(Mus musculus)
BDBM77624
PNG
(4,6-dimethyl-2-(1-pyrrolidinyl)quinoline;2,2,2-tri...)
Show SMILES Cc1ccc2nc(cc(C)c2c1)N1CCCC1
Show InChI InChI=1S/C15H18N2/c1-11-5-6-14-13(9-11)12(2)10-15(16-14)17-7-3-4-8-17/h5-6,9-10H,3-4,7-8H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 3.71E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Concentration-Response Relationship Observed Source (MLPCN Center Name): ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JS9NWF
More data for this
Ligand-Target Pair
alternatively spliced Trp4


(Mus musculus)
BDBM79624
PNG
(6-fluoranyl-4-methyl-2-pyrrolidin-1-yl-quinoline;2...)
Show SMILES Cc1cc(nc2ccc(F)cc12)N1CCCC1
Show InChI InChI=1S/C14H15FN2/c1-10-8-14(17-6-2-3-7-17)16-13-5-4-11(15)9-12(10)13/h4-5,8-9H,2-3,6-7H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 3.94E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
The inhibitory effects of test compounds on TRPC4 channels were evaluated in electrophysiological assays using a QPatch16 automated electrophysiology...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2T43RK9
More data for this
Ligand-Target Pair
alternatively spliced Trp4


(Mus musculus)
BDBM77621
PNG
(4-methyl-2-[(2S)-2-methyl-1-pyrrolidinyl]quinoline...)
Show SMILES C[C@H]1CCCN1c1cc(C)c2ccccc2n1
Show InChI InChI=1S/C15H18N2/c1-11-10-15(17-9-5-6-12(17)2)16-14-8-4-3-7-13(11)14/h3-4,7-8,10,12H,5-6,9H2,1-2H3/t12-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 4.26E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Concentration-Response Relationship Observed Source (MLPCN Center Name): ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JS9NWF
More data for this
Ligand-Target Pair
alternatively spliced Trp4


(Mus musculus)
BDBM77616
PNG
(4-chloranyl-N'-cyclohexyl-benzenecarboximidamide;h...)
Show SMILES NC(=NC1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H17ClN2/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H2,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.56E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Concentration-Response Relationship Observed Source (MLPCN Center Name): ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JS9NWF
More data for this
Ligand-Target Pair
alternatively spliced Trp4


(Mus musculus)
BDBM77623
PNG
(4,6-dimethyl-2-(1-piperidinyl)quinoline;2,2,2-trif...)
Show SMILES Cc1ccc2nc(cc(C)c2c1)N1CCCCC1
Show InChI InChI=1S/C16H20N2/c1-12-6-7-15-14(10-12)13(2)11-16(17-15)18-8-4-3-5-9-18/h6-7,10-11H,3-5,8-9H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 5.49E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Concentration-Response Relationship Observed Source (MLPCN Center Name): ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JS9NWF
More data for this
Ligand-Target Pair
alternatively spliced Trp4


(Mus musculus)
BDBM77626
PNG
(6-fluoranyl-4-methyl-2-piperidin-1-yl-quinoline;2,...)
Show SMILES Cc1cc(nc2ccc(F)cc12)N1CCCCC1
Show InChI InChI=1S/C15H17FN2/c1-11-9-15(18-7-3-2-4-8-18)17-14-6-5-12(16)10-13(11)14/h5-6,9-10H,2-4,7-8H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 6.18E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Concentration-Response Relationship Observed Source (MLPCN Center Name): ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JS9NWF
More data for this
Ligand-Target Pair
alternatively spliced Trp4


(Mus musculus)
BDBM79618
PNG
(N,N-diethyl-4-methyl-2-quinolinamine;2,2,2-trifluo...)
Show SMILES CCN(CC)c1cc(C)c2ccccc2n1
Show InChI InChI=1S/C14H18N2/c1-4-16(5-2)14-10-11(3)12-8-6-7-9-13(12)15-14/h6-10H,4-5H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 7.54E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
The inhibitory effects of test compounds on TRPC4 channels were evaluated in electrophysiological assays using a QPatch16 automated electrophysiology...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2T43RK9
More data for this
Ligand-Target Pair
alternatively spliced Trp4


(Mus musculus)
BDBM79622
PNG
(1-(4-methyl-2-quinolinyl)-3-piperidinol;2,2,2-trif...)
Show SMILES Cc1cc(nc2ccccc12)N1CCCC(O)C1
Show InChI InChI=1S/C15H18N2O/c1-11-9-15(17-8-4-5-12(18)10-17)16-14-7-3-2-6-13(11)14/h2-3,6-7,9,12,18H,4-5,8,10H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 9.40E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
The inhibitory effects of test compounds on TRPC4 channels were evaluated in electrophysiological assays using a QPatch16 automated electrophysiology...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2T43RK9
More data for this
Ligand-Target Pair
alternatively spliced Trp4


(Mus musculus)
BDBM79625
PNG
(4,8-dimethyl-2-(1-pyrrolidinyl)quinoline;2,2,2-tri...)
Show SMILES Cc1cccc2c(C)cc(nc12)N1CCCC1
Show InChI InChI=1S/C15H18N2/c1-11-6-5-7-13-12(2)10-14(16-15(11)13)17-8-3-4-9-17/h5-7,10H,3-4,8-9H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 9.96E+3n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
The inhibitory effects of test compounds on TRPC4 channels were evaluated in electrophysiological assays using a QPatch16 automated electrophysiology...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2T43RK9
More data for this
Ligand-Target Pair
alternatively spliced Trp4


(Mus musculus)
BDBM77619
PNG
(4-(4-methyl-2-quinolinyl)morpholine;2,2,2-trifluor...)
Show SMILES Cc1cc(nc2ccccc12)N1CCOCC1
Show InChI InChI=1S/C14H16N2O/c1-11-10-14(16-6-8-17-9-7-16)15-13-5-3-2-4-12(11)13/h2-5,10H,6-9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 1.40E+5n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center BioAssay Type: Confirmatory, Concentration-Response Relationship Observed Source (MLPCN Center Name): ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JS9NWF
More data for this
Ligand-Target Pair