Found 26 hits with Last Name = 'giannuzzi' and Initial = 'g' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Calmodulin
(Bos taurus) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Displacement of [3H]W-7 from bovine brain CaM |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Calmodulin
(Bos taurus) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to CaM (unknown origin) by equilibrium dialysis method |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Calmodulin
(Bos taurus) | BDBM50017698
(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N...)Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Displacement of [3H]trifluoperazine from bovine brain CaM in presence of calcium |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | |
Calmodulin
(Bos taurus) | BDBM50111446
(5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexy...)Show InChI InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Displacement of [3H] ifenprodil from bovine CaM-agarose incubated for 30 mins by liquid scintillation spectrometric analysis |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Calmodulin
(Bos taurus) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to CaM (unknown origin) by equilibrium dialysis method |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM50165124
(CHEMBL3798296)Show SMILES COc1cccc(CN(CCN(CCN(C)C)Cc2ccccc2)Cc2ccccc2)c1 Show InChI InChI=1S/C28H37N3O/c1-29(2)17-18-30(22-25-11-6-4-7-12-25)19-20-31(23-26-13-8-5-9-14-26)24-27-15-10-16-28(21-27)32-3/h4-16,21H,17-20,22-24H2,1-3H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human CaMKK2 expressed in insect Sf21 cells in presence of 2 uM CaM/[gamma32P]ATP by liquid scintillation count... |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | |
Calmodulin
(Bos taurus) | BDBM50017696
((2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiaz...)Show InChI InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to CaM (unknown origin) by equilibrium dialysis method |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | |
Calmodulin
(Bos taurus) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Competitive binding affinity to human recombinant CaM by Cy5 dye labeled W-7-based fluorescence polarization analysis |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | |
Calmodulin
(Bos taurus) | BDBM50165124
(CHEMBL3798296)Show SMILES COc1cccc(CN(CCN(CCN(C)C)Cc2ccccc2)Cc2ccccc2)c1 Show InChI InChI=1S/C28H37N3O/c1-29(2)17-18-30(22-25-11-6-4-7-12-25)19-20-31(23-26-13-8-5-9-14-26)24-27-15-10-16-28(21-27)32-3/h4-16,21H,17-20,22-24H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to bovine brain CaM by FTPFACE analysis |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | |
Calmodulin
(Bos taurus) | BDBM50017723
((3,3-Diphenyl-propyl)-(1-methyl-2-phenyl-ethyl)-am...)Show InChI InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to dansylated bovine testes CaM by fluorescence analysis in presence of calcium2+ |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | |
Calmodulin
(Bos taurus) | BDBM61401
(3,3-diphenyl-N-(1-phenylethyl)-1-propanamine;hydro...)Show InChI InChI=1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to dansylated bovine testes CaM by fluorescence analysis in presence of calcium2+ |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | |
Calmodulin
(Bos taurus) | BDBM50111446
(5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexy...)Show InChI InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to dansylated bovine testes CaM by fluorescence analysis in presence of calcium2+ |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Calmodulin
(Bos taurus) | BDBM50165124
(CHEMBL3798296)Show SMILES COc1cccc(CN(CCN(CCN(C)C)Cc2ccccc2)Cc2ccccc2)c1 Show InChI InChI=1S/C28H37N3O/c1-29(2)17-18-30(22-25-11-6-4-7-12-25)19-20-31(23-26-13-8-5-9-14-26)24-27-15-10-16-28(21-27)32-3/h4-16,21H,17-20,22-24H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to CaM (unknown origin) by isothermal titration calorimetric analysis in presence of calcium2+ |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | |
Calmodulin
(Bos taurus) | BDBM50017723
((3,3-Diphenyl-propyl)-(1-methyl-2-phenyl-ethyl)-am...)Show InChI InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to dansylated bovine brain CaM assessed as half maximal increase in fluorescence by fluorescence analysis |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | |
Calmodulin
(Bos taurus) | BDBM50111446
(5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexy...)Show InChI InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to dansylated bovine brain CaM assessed as half maximal increase in fluorescence by fluorescence analysis |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Calmodulin
(Bos taurus) | BDBM79181
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to dansylated bovine testes CaM by fluorescence analysis in presence of calcium2+ |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Calmodulin
(Bos taurus) | BDBM61401
(3,3-diphenyl-N-(1-phenylethyl)-1-propanamine;hydro...)Show InChI InChI=1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to dansylated bovine brain CaM assessed as half maximal increase in fluorescence by fluorescence analysis |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | |
Calmodulin
(Bos taurus) | BDBM50066066
((S)-1-[4-(Benzothiazol-2-yl-methyl-amino)-piperidi...)Show SMILES CN(C1CCN(C[C@H](O)COc2ccc(F)c(F)c2)CC1)c1nc2ccccc2s1 Show InChI InChI=1S/C22H25F2N3O2S/c1-26(22-25-20-4-2-3-5-21(20)30-22)15-8-10-27(11-9-15)13-16(28)14-29-17-6-7-18(23)19(24)12-17/h2-7,12,15-16,28H,8-11,13-14H2,1H3/t16-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to bovine brain CaM by FTPFACE analysis |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | |
Calmodulin
(Bos taurus) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 6.10E+4 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to bovine brain CaM by FTPFACE analysis |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | |
Calmodulin
(Bos taurus) | BDBM50111446
(5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexy...)Show InChI InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to bovine brain CaM by FTPFACE analysis |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Calmodulin
(Bos taurus) | BDBM50017696
((2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiaz...)Show InChI InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to bovine brain CaM by FTPFACE analysis |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | |
Calmodulin
(Bos taurus) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to bovine brain CaM by FTPFACE analysis |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Calmodulin
(Bos taurus) | BDBM50017698
(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N...)Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to bovine brain CaM by FTPFACE analysis |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | |
Calmodulin
(Bos taurus) | BDBM61401
(3,3-diphenyl-N-(1-phenylethyl)-1-propanamine;hydro...)Show InChI InChI=1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to bovine brain CaM by FTPFACE analysis |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | |
Calmodulin
(Bos taurus) | BDBM79181
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to bovine brain CaM by FTPFACE analysis |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Calmodulin
(Bos taurus) | BDBM50017723
((3,3-Diphenyl-propyl)-(1-methyl-2-phenyl-ethyl)-am...)Show InChI InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari 'Aldo Moro'
Curated by ChEMBL
| Assay Description Binding affinity to bovine brain CaM by FTPFACE analysis |
Eur J Med Chem 116: 36-45 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.045 BindingDB Entry DOI: 10.7270/Q2Q2424Z |
More data for this Ligand-Target Pair | |