BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 318 hits with Last Name = 'ahmed' and Initial = 'm'   
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
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321113
PNG
(3-Phenyl-2-(trifluoromethyl)quinazolin-4(3H)-one |...)
Show SMILES FC(F)(F)c1nc2ccccc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C15H9F3N2O/c16-15(17,18)14-19-12-9-5-4-8-11(12)13(21)20(14)10-6-2-1-3-7-10/h1-9H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11.5n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa


Bioorg Med Chem 18: 4317-27 (2010)


Article DOI: 10.1016/j.bmc.2010.04.083
BindingDB Entry DOI: 10.7270/Q2QV3MP9
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50068225
PNG
(CHEMBL3403324)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N2O4S2/c1-11-2-6-14(7-3-11)22(19,20)16-10-12-4-8-13(9-5-12)21(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50068229
PNG
(CHEMBL3403327)
Show SMILES NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C12H11FN2O4S2/c13-9-4-6-11(7-5-9)21(18,19)15-10-2-1-3-12(8-10)20(14,16)17/h1-8,15H,(H2,14,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
60n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50428400
PNG
(CA inhibitor, 2 | CHEMBL182659 | [(4-Methylphenyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
70n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50068230
PNG
(CHEMBL3403329)
Show SMILES CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C15H17NO3S/c1-3-19-14-8-6-13(7-9-14)16-20(17,18)15-10-4-12(2)5-11-15/h4-11,16H,3H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
128n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321123
PNG
(3-(Isopropylideneamino)-2,2-dimethyl-2,3-dihydroqu...)
Show SMILES CC(C)=NN1C(=O)c2ccccc2NC1(C)C
Show InChI InChI=1S/C13H17N3O/c1-9(2)15-16-12(17)10-7-5-6-8-11(10)14-13(16,3)4/h5-8,14H,1-4H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
243n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa


Bioorg Med Chem 18: 4317-27 (2010)


Article DOI: 10.1016/j.bmc.2010.04.083
BindingDB Entry DOI: 10.7270/Q2QV3MP9
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50068220
PNG
(CHEMBL3403320)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C14H13FN2O3S/c15-12-5-3-11(4-6-12)14(18)17-9-10-1-7-13(8-2-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
299n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50068228
PNG
(CHEMBL3403317)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-11(7-9-13)10-16-14(17)12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)(H2,15,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
918n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50068227
PNG
(CHEMBL3403325)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H14N2O4S2/c1-10-5-7-12(8-6-10)21(18,19)15-11-3-2-4-13(9-11)20(14,16)17/h2-9,15H,1H3,(H2,14,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
950n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321122
PNG
(2-Ethylquinazolin-4(3H)-one | CHEMBL1163173)
Show SMILES Clc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C14H9ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.25E+3n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa


Bioorg Med Chem 18: 4317-27 (2010)


Article DOI: 10.1016/j.bmc.2010.04.083
BindingDB Entry DOI: 10.7270/Q2QV3MP9
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50247721
PNG
(4-fluoro-N-(4-sulfamoylbenzyl)benzenesulfonamide |...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H13FN2O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9H2,(H2,15,17,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.25E+3n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM16661
PNG
(1-N-(4-fluorobenzene)benzene-1,4-disulfonamide | a...)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C12H11FN2O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,(H2,14,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
1.39E+3n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50241179
PNG
((S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiaz...)
Show SMILES C1CN2C[C@@H](N=C2S1)c1ccccc1
Show InChI InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.81E+3n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50068218
PNG
(CHEMBL3403318)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H16N2O3S/c16-21(19,20)14-8-6-12(7-9-14)10-11-17-15(18)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18)(H2,16,19,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
3.96E+3n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50068221
PNG
(CHEMBL3403321)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H15FN2O3S/c16-13-5-3-12(4-6-13)15(19)18-10-9-11-1-7-14(8-2-11)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
4.51E+3n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50068222
PNG
(CHEMBL3403322)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C13H11FN2O3S/c14-10-6-4-9(5-7-10)13(17)16-11-2-1-3-12(8-11)20(15,18)19/h1-8H,(H,16,17)(H2,15,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
1.62E+4n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM16652
PNG
(4-Benzoylamino-benzenesulfonamide | CHEMBL23559 | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)12-8-6-11(7-9-12)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)(H2,14,17,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.66E+4n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50068226
PNG
(CHEMBL1607835)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H18N2O4S2/c1-12-2-6-15(7-3-12)23(20,21)17-11-10-13-4-8-14(9-5-13)22(16,18)19/h2-9,17H,10-11H2,1H3,(H2,16,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.76E+4n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50068219
PNG
(CHEMBL3403319)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H11FN2O3S/c14-10-3-1-9(2-4-10)13(17)16-11-5-7-12(8-6-11)20(15,18)19/h1-8H,(H,16,17)(H2,15,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
2.51E+4n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321112
PNG
(3-Amino-2-(trifluoromethyl)quinazolin-4(3H)-one | ...)
Show SMILES Nn1c(nc2ccccc2c1=O)C(F)(F)F
Show InChI InChI=1S/C9H6F3N3O/c10-9(11,12)8-14-6-4-2-1-3-5(6)7(16)15(8)13/h1-4H,13H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.79E+4n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa


Bioorg Med Chem 18: 4317-27 (2010)


Article DOI: 10.1016/j.bmc.2010.04.083
BindingDB Entry DOI: 10.7270/Q2QV3MP9
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321118
PNG
(3-({(1E)-[4-(Dimethylamino)phenyl]methylene}amino)...)
Show SMILES CN(C)c1ccc(\C=N\N2C(Nc3ccccc3C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H22N4O/c1-26(2)19-14-12-17(13-15-19)16-24-27-22(18-8-4-3-5-9-18)25-21-11-7-6-10-20(21)23(27)28/h3-16,22,25H,1-2H3/b24-16+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.20E+4n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa


Bioorg Med Chem 18: 4317-27 (2010)


Article DOI: 10.1016/j.bmc.2010.04.083
BindingDB Entry DOI: 10.7270/Q2QV3MP9
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321114
PNG
(3-Amino-2-methylquinazolin-4(3H)-one | CHEMBL11631...)
Show SMILES Cc1nc2ccccc2c(=O)n1N
Show InChI InChI=1S/C9H9N3O/c1-6-11-8-5-3-2-4-7(8)9(13)12(6)10/h2-5H,10H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.49E+4n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa


Bioorg Med Chem 18: 4317-27 (2010)


Article DOI: 10.1016/j.bmc.2010.04.083
BindingDB Entry DOI: 10.7270/Q2QV3MP9
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321115
PNG
(2-(4-Methylphenyl)-3-(1,3-thiazol-2-yl)quinazolin-...)
Show SMILES Cc1ccc(cc1)-c1nc2ccccc2c(=O)n1-c1nccs1
Show InChI InChI=1S/C18H13N3OS/c1-12-6-8-13(9-7-12)16-20-15-5-3-2-4-14(15)17(22)21(16)18-19-10-11-23-18/h2-11H,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.93E+4n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa


Bioorg Med Chem 18: 4317-27 (2010)


Article DOI: 10.1016/j.bmc.2010.04.083
BindingDB Entry DOI: 10.7270/Q2QV3MP9
More data for this
Ligand-Target Pair
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50068223
PNG
(CHEMBL3403323)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H14N2O4S2/c1-10-2-6-13(7-3-10)21(18,19)15-11-4-8-12(9-5-11)20(14,16)17/h2-9,15H,1H3,(H2,14,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
9.19E+4n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney non-specific alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectro...


Bioorg Med Chem 23: 2435-44 (2015)


Article DOI: 10.1016/j.bmc.2015.03.054
BindingDB Entry DOI: 10.7270/Q2WW7KC8
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321119
PNG
(3-({(1E)-[4-(Dimethylamino)phenyl]methylene}amino)...)
Show SMILES CC1Nc2ccccc2C(=O)N1\N=C\c1ccc(cc1)N(C)C
Show InChI InChI=1S/C18H20N4O/c1-13-20-17-7-5-4-6-16(17)18(23)22(13)19-12-14-8-10-15(11-9-14)21(2)3/h4-13,20H,1-3H3/b19-12+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.83E+6n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa


Bioorg Med Chem 18: 4317-27 (2010)


Article DOI: 10.1016/j.bmc.2010.04.083
BindingDB Entry DOI: 10.7270/Q2QV3MP9
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321116
PNG
(3-Amino-2-(4-nitrophenyl)quinazolin-4(3H)-one | CH...)
Show SMILES Nn1c(nc2ccccc2c1=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O3/c15-17-13(9-5-7-10(8-6-9)18(20)21)16-12-4-2-1-3-11(12)14(17)19/h1-8H,15H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.12E+6n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa


Bioorg Med Chem 18: 4317-27 (2010)


Article DOI: 10.1016/j.bmc.2010.04.083
BindingDB Entry DOI: 10.7270/Q2QV3MP9
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321120
PNG
(3-{[(1E)-(3-Chlorophenyl)methylene]amino}-2-phenyl...)
Show SMILES Clc1cccc(\C=N\N2C(Nc3ccccc3C2=O)c2ccccc2)c1
Show InChI InChI=1S/C21H16ClN3O/c22-17-10-6-7-15(13-17)14-23-25-20(16-8-2-1-3-9-16)24-19-12-5-4-11-18(19)21(25)26/h1-14,20,24H/b23-14+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.00E+6n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa


Bioorg Med Chem 18: 4317-27 (2010)


Article DOI: 10.1016/j.bmc.2010.04.083
BindingDB Entry DOI: 10.7270/Q2QV3MP9
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321117
PNG
(3-Amino-2-(4-chlorophenyl)quinazolin-4(3H)-one | C...)
Show SMILES Nn1c(nc2ccccc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H10ClN3O/c15-10-7-5-9(6-8-10)13-17-12-4-2-1-3-11(12)14(19)18(13)16/h1-8H,16H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.01E+7n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa


Bioorg Med Chem 18: 4317-27 (2010)


Article DOI: 10.1016/j.bmc.2010.04.083
BindingDB Entry DOI: 10.7270/Q2QV3MP9
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50321121
PNG
(CHEMBL1163684 | EthanimidicacidN-[4-oxo-2-phenyl-3...)
Show SMILES COC(C)=Nn1c(nc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C17H15N3O2/c1-12(22-2)19-20-16(13-8-4-3-5-9-13)18-15-11-7-6-10-14(15)17(20)21/h3-11H,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.06E+8n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin after 15 mins by microplate fluorescence analysis in presence of 0.5 to 2 mM substrate FaGLa


Bioorg Med Chem 18: 4317-27 (2010)


Article DOI: 10.1016/j.bmc.2010.04.083
BindingDB Entry DOI: 10.7270/Q2QV3MP9
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221982
PNG
(US9303035, 6)
Show SMILES Cn1c2c3[C@@H](O[C@@H](CO)Cn3c(-c3cccc(F)c3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C22H19ClFN3O5/c1-25-18-16(21(29)26(2)22(25)30)17(11-4-3-5-12(24)8-11)27-9-13(10-28)31-20(19(18)27)14-6-7-15(23)32-14/h3-8,13,20,28H,9-10H2,1-2H3/t13-,20+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.0500n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221986
PNG
(US9303035, 8.0a)
Show SMILES Cn1c2c3[C@H](O[C@@H](CO)Cn3c(-c3cccc(Cl)c3)c2c(=O)n(C)c1=O)c1nc(Cl)cs1
Show InChI InChI=1S/C21H18Cl2N4O4S/c1-25-16-14(20(29)26(2)21(25)30)15(10-4-3-5-11(22)6-10)27-7-12(8-28)31-18(17(16)27)19-24-13(23)9-32-19/h3-6,9,12,18,28H,7-8H2,1-2H3/t12-,18+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.0700n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221984
PNG
(US9303035, 7.0a)
Show SMILES Cc1csc(n1)-c1n2CC(CO)OC(c3ccc(Cl)o3)c2c2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H19ClN4O5S/c1-9-8-31-18(22-9)15-13-14(23(2)20(28)24(3)19(13)27)16-17(11-4-5-12(21)30-11)29-10(7-26)6-25(15)16/h4-5,8,10,17,26H,6-7H2,1-3H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.0900n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221987
PNG
(US9303035, 8.1a)
Show SMILES Cn1c2c3[C@@H](O[C@@H](CO)Cn3c(-c3cccc(Cl)c3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C22H19Cl2N3O5/c1-25-18-16(21(29)26(2)22(25)30)17(11-4-3-5-12(23)8-11)27-9-13(10-28)31-20(19(18)27)14-6-7-15(24)32-14/h3-8,13,20,28H,9-10H2,1-2H3/t13-,20+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.120n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221983
PNG
(US9303035, 6.1)
Show SMILES Cn1c2c3[C@@H](O[C@@H](CO)Cn3c(-c3cccc(c3)C#N)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C23H19ClN4O5/c1-26-19-17(22(30)27(2)23(26)31)18(13-5-3-4-12(8-13)9-25)28-10-14(11-29)32-21(20(19)28)15-6-7-16(24)33-15/h3-8,14,21,29H,10-11H2,1-2H3/t14-,21+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.240n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221992
PNG
(US9303035, 12.2)
Show SMILES COCC1Cn2c(C(O1)c1ccc(Cl)o1)c1n(C)c(=O)n(C)c(=O)c1c2-c1cccc(Cl)c1
Show InChI InChI=1S/C23H21Cl2N3O5/c1-26-19-17(22(29)27(2)23(26)30)18(12-5-4-6-13(24)9-12)28-10-14(11-31-3)32-21(20(19)28)15-7-8-16(25)33-15/h4-9,14,21H,10-11H2,1-3H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.240n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221989
PNG
(US9303035, 11a)
Show SMILES Cn1c2c3[C@@H](N[C@@H](CO)Cn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C22H21ClN4O4/c1-25-19-16(21(29)26(2)22(25)30)18(12-6-4-3-5-7-12)27-10-13(11-28)24-17(20(19)27)14-8-9-15(23)31-14/h3-9,13,17,24,28H,10-11H2,1-2H3/t13-,17+/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.310n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221993
PNG
(US9303035, 12.4)
Show SMILES CN(C)CC1Cn2c(C(O1)c1ccc(Cl)o1)c1n(C)c(=O)n(C)c(=O)c1c2-c1cccc(Cl)c1
Show InChI InChI=1S/C24H24Cl2N4O4/c1-27(2)11-15-12-30-19(13-6-5-7-14(25)10-13)18-20(28(3)24(32)29(4)23(18)31)21(30)22(33-15)16-8-9-17(26)34-16/h5-10,15,22H,11-12H2,1-4H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.540n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221967
PNG
(US9303035, 2.9)
Show SMILES Cn1c2c3C(NCCn3c(-c3cccc(c3)C#N)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C22H18ClN5O3/c1-26-19-16(21(29)27(2)22(26)30)18(13-5-3-4-12(10-13)11-24)28-9-8-25-17(20(19)28)14-6-7-15(23)31-14/h3-7,10,17,25H,8-9H2,1-2H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.590n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221990
PNG
(US9303035, 12)
Show SMILES CC1Cn2c(C(O1)c1nc(C)cs1)c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
Show InChI InChI=1S/C22H22N4O3S/c1-12-11-30-20(23-12)19-18-17-15(21(27)25(4)22(28)24(17)3)16(14-8-6-5-7-9-14)26(18)10-13(2)29-19/h5-9,11,13,19H,10H2,1-4H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.600n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221985
PNG
(US9303035, 7.1a)
Show SMILES Cn1c2c3[C@H](O[C@H](CO)Cn3c(-c3nc(CO)cs3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C20H19ClN4O6S/c1-23-14-13(19(28)24(2)20(23)29)15(18-22-9(6-26)8-32-18)25-5-10(7-27)30-17(16(14)25)11-3-4-12(21)31-11/h3-4,8,10,17,26-27H,5-7H2,1-2H3/t10-,17+/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.610n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221994
PNG
(US9303035, 12.5)
Show SMILES Cn1c2c3C(OC(C)(C)Cn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C23H22ClN3O4/c1-23(2)12-27-17(13-8-6-5-7-9-13)16-18(25(3)22(29)26(4)21(16)28)19(27)20(31-23)14-10-11-15(24)30-14/h5-11,20H,12H2,1-4H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.620n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221970
PNG
(US9303035, 3.2)
Show SMILES Cc1csc(n1)C1NCCn2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1cccc(Cl)c1
Show InChI InChI=1S/C21H20ClN5O2S/c1-11-10-30-19(24-11)15-18-17-14(20(28)26(3)21(29)25(17)2)16(27(18)8-7-23-15)12-5-4-6-13(22)9-12/h4-6,9-10,15,23H,7-8H2,1-3H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.640n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221969
PNG
(US9303035, 3.1)
Show SMILES Cn1c2c3C(NCCn3c(-c3cccc(Cl)c3)c2c(=O)n(C)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C21H18Cl2N4O3/c1-25-18-15(20(28)26(2)21(25)29)17(11-4-3-5-12(22)10-11)27-9-8-24-16(19(18)27)13-6-7-14(23)30-13/h3-7,10,16,24H,8-9H2,1-2H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.700n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
HECT-type E3 ubiquitin transferase SMURF1


(Homo sapiens (Human))
BDBM239101
PNG
(US9403810, 2.2)
Show SMILES Cc1c(noc1C1=CCC(C)(C)CC1)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O
Show InChI InChI=1S/C24H34N4O3/c1-15-19(26-31-21(15)17-11-13-24(3,4)14-12-17)22(29)25-20-16(2)27(5)28(23(20)30)18-9-7-6-8-10-18/h11,18H,6-10,12-14H2,1-5H3,(H,25,29)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.900n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...


US Patent US9403810 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F1F
More data for this
Ligand-Target Pair
HECT-type E3 ubiquitin transferase SMURF1


(Homo sapiens (Human))
BDBM239132
PNG
(US9403810, 22c)
Show SMILES C[C@@H]1CC[C@H](OC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C
Show InChI InChI=1S/C22H32N4O4/c1-13-10-11-17(29-12-13)20-14(2)18(24-30-20)21(27)23-19-15(3)25(4)26(22(19)28)16-8-6-5-7-9-16/h13,16-17H,5-12H2,1-4H3,(H,23,27)/t13-,17+/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...


US Patent US9403810 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F1F
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221952
PNG
(US9303035, 1.2)
Show SMILES Cn1c2c3C(NCCn3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccco1
Show InChI InChI=1S/C21H20N4O3/c1-23-18-15(20(26)24(2)21(23)27)17(13-7-4-3-5-8-13)25-11-10-22-16(19(18)25)14-9-6-12-28-14/h3-9,12,16,22H,10-11H2,1-2H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.58n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
HECT-type E3 ubiquitin transferase SMURF1


(Homo sapiens (Human))
BDBM239094
PNG
(US9403810, 1.3)
Show SMILES CCC1CCC(=CC1)c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C
Show InChI InChI=1S/C24H34N4O3/c1-5-17-11-13-18(14-12-17)22-15(2)20(26-31-22)23(29)25-21-16(3)27(4)28(24(21)30)19-9-7-6-8-10-19/h13,17,19H,5-12,14H2,1-4H3,(H,25,29)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.80n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...


US Patent US9403810 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F1F
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221958
PNG
(US9303035, 1.26)
Show SMILES Cc1csc(n1)-c1n2CCNC(c3ccc(Cl)o3)c2c2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H18ClN5O3S/c1-9-8-29-17(22-9)15-12-14(23(2)19(27)24(3)18(12)26)16-13(21-6-7-25(15)16)10-4-5-11(20)28-10/h4-5,8,13,21H,6-7H2,1-3H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
cystic fibrosis transmembrane conductance regulator protein (CFTR)


(Cricetulus griseus (Chinese hamster))
BDBM221996
PNG
(US9303035, 14)
Show SMILES Cn1c2c3C(COC(CO)Cn3c(-c3cccc(c3)C#N)c2c(=O)n(C)c1=O)c1nc(Cl)cs1
Show InChI InChI=1S/C23H20ClN5O4S/c1-27-20-17(22(31)28(2)23(27)32)18(13-5-3-4-12(6-13)7-25)29-8-14(9-30)33-10-15(19(20)29)21-26-16(24)11-34-21/h3-6,11,14-15,30H,8-10H2,1-2H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.96n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
CFTR activity can be quantified by electrophysiology methods, using the whole-cell configuration of the patch clamp technique (Hamill O, Marty A, Neh...


US Patent US9303035 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ8Z7R
More data for this
Ligand-Target Pair
HECT-type E3 ubiquitin transferase SMURF1


(Homo sapiens (Human))
BDBM239092
PNG
(US9403810, 1.1)
Show SMILES CCC1CC(C)CC=C1c1onc(C(=O)Nc2c(C)n(C)n(C3CCCCC3)c2=O)c1C
Show InChI InChI=1S/C25H36N4O3/c1-6-18-14-15(2)12-13-20(18)23-16(3)21(27-32-23)24(30)26-22-17(4)28(5)29(25(22)31)19-10-8-7-9-11-19/h13,15,18-19H,6-12,14H2,1-5H3,(H,26,30)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
For the biochemical assay panel, 50 nl of the test compounds, reference compounds and buffer/DMSO control are transferred to the respective wells of ...


US Patent US9403810 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F1F
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 318 total )  |  Next  |  Last  >>
Jump to: