Found 210 hits with Last Name = 'geiger' and Initial = 'ja' 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-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446180
(CHEMBL3108998 | US9518026, Example 25 | US9956214,...)Show SMILES COc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C19H22N4O2/c1-19(2,3)23-17(20)15(18(21)24)16(22-23)13-6-5-12-10-14(25-4)8-7-11(12)9-13/h5-10H,20H2,1-4H3,(H2,21,24) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446181
(CHEMBL3108912 | US9518026, Example 1 | US9956214, ...)Show InChI InChI=1S/C18H20N4O/c1-18(2,3)22-16(19)14(17(20)23)15(21-22)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,19H2,1-3H3,(H2,20,23) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446179
(CHEMBL3109011 | US9518026, Example 39 | US9956214,...)Show SMILES CCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C19H23N5O2/c1-5-26-13-7-6-11-8-12(10-22-14(11)9-13)16-15(18(21)25)17(20)24(23-16)19(2,3)4/h6-10H,5,20H2,1-4H3,(H2,21,25) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446178
(CHEMBL3108913 | US9518026, Example 3 | US9956214, ...)Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C20H24N4O2/c1-5-26-15-9-8-12-10-14(7-6-13(12)11-15)17-16(19(22)25)18(21)24(23-17)20(2,3)4/h6-11H,5,21H2,1-4H3,(H2,22,25) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446177
(CHEMBL3108991 | US9518026, Example 18 | US9956214,...)Show InChI InChI=1S/C16H13F3N4O/c17-16(18,19)8-23-14(20)12(15(21)24)13(22-23)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8,20H2,(H2,21,24) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446176
(CHEMBL3108996 | US9518026, Example 23 | US9956214,...)Show SMILES NC(=O)c1c(N)n(CCN2CCOCC2)nc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N5O2/c21-19-17(20(22)26)18(16-6-5-14-3-1-2-4-15(14)13-16)23-25(19)8-7-24-9-11-27-12-10-24/h1-6,13H,7-12,21H2,(H2,22,26) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446175
(CHEMBL3108986 | US9518026, Example 13 | US9956214,...)Show InChI InChI=1S/C17H18N4O/c1-10(2)21-16(18)14(17(19)22)15(20-21)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,18H2,1-2H3,(H2,19,22) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446174
(CHEMBL3109010 | US9518026, Example 38 | US9956214,...)Show InChI InChI=1S/C17H19N5O/c1-17(2,3)22-15(18)13(16(19)23)14(21-22)11-8-10-6-4-5-7-12(10)20-9-11/h4-9H,18H2,1-3H3,(H2,19,23) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446173
(CHEMBL3108988 | US9518026, Example 15 | US9956214,...)Show InChI InChI=1S/C18H18N4O/c19-17-15(18(20)23)16(21-22(17)10-11-5-6-11)14-8-7-12-3-1-2-4-13(12)9-14/h1-4,7-9,11H,5-6,10,19H2,(H2,20,23) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446172
(CHEMBL3108997 | US9518026, Example 24 | US9956214,...)Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2cc(O)ccc2c1 Show InChI InChI=1S/C18H20N4O2/c1-18(2,3)22-16(19)14(17(20)24)15(21-22)12-5-4-11-9-13(23)7-6-10(11)8-12/h4-9,23H,19H2,1-3H3,(H2,20,24) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446171
(CHEMBL3108999 | US9518026, Example 26 | US9956214,...)Show SMILES CCCOc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C21H26N4O2/c1-5-10-27-16-9-8-13-11-15(7-6-14(13)12-16)18-17(20(23)26)19(22)25(24-18)21(2,3)4/h6-9,11-12H,5,10,22H2,1-4H3,(H2,23,26) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446170
(CHEMBL3108985 | US9518026, Example 12 | US9956214,...)Show InChI InChI=1S/C16H16N4O/c1-2-20-15(17)13(16(18)21)14(19-20)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2,17H2,1H3,(H2,18,21) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446169
(CHEMBL3108987 | US9518026, Example 14 | US9956214,...)Show InChI InChI=1S/C18H20N4O/c1-11(2)10-22-17(19)15(18(20)23)16(21-22)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10,19H2,1-2H3,(H2,20,23) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50388032
(CHEMBL2059165 | US10544104, Compound 91)Show SMILES O=C(NCCC1CCCNC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C22H25N5O2/c28-20(16-6-2-1-3-7-16)17-8-9-18-19(13-17)26-21(25-18)27-22(29)24-12-10-15-5-4-11-23-14-15/h1-3,6-9,13,15,23H,4-5,10-12,14H2,(H3,24,25,26,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of human ABL |
Bioorg Med Chem Lett 22: 5264-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446168
(CHEMBL3109009 | US9518026, Example 37 | US9956214,...)Show InChI InChI=1S/C17H19N5O/c1-17(2,3)22-15(18)13(16(19)23)14(21-22)11-6-7-12-10(9-11)5-4-8-20-12/h4-9H,18H2,1-3H3,(H2,19,23) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446167
(CHEMBL3108916 | US9518026, Example 8 | US9956214, ...)Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c(N)c1C(N)=O Show InChI InChI=1S/C23H29N5O2/c1-3-30-19-7-6-16-12-18(5-4-17(16)13-19)21-20(23(25)29)22(24)28(26-21)14-15-8-10-27(2)11-9-15/h4-7,12-13,15H,3,8-11,14,24H2,1-2H3,(H2,25,29) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446165
(CHEMBL3108992 | US9518026, Example 19 | US9956214,...)Show InChI InChI=1S/C19H22N4O/c1-19(2,3)11-23-17(20)15(18(21)24)16(22-23)14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,11,20H2,1-3H3,(H2,21,24) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446166
(CHEMBL3108990 | US9518026, Example 17 | US9956214,...)Show InChI InChI=1S/C20H22N4O/c21-19-17(20(22)25)18(23-24(19)16-8-2-1-3-9-16)15-11-10-13-6-4-5-7-14(13)12-15/h4-7,10-12,16H,1-3,8-9,21H2,(H2,22,25) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446164
(CHEMBL3108995 | US9518026, Example 22 | US9956214,...)Show InChI InChI=1S/C16H16N4O2/c17-15-13(16(18)22)14(19-20(15)7-8-21)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,21H,7-8,17H2,(H2,18,22) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50383378
(CHEMBL2030561)Show InChI InChI=1S/C20H22N4O/c21-20-23-17-7-6-16(19(25)15-4-2-1-3-5-15)12-18(17)24(20)13-14-8-10-22-11-9-14/h1-7,12,14,22H,8-11,13H2,(H2,21,23) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 |
Bioorg Med Chem Lett 22: 5264-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446163
(CHEMBL3109002)Show SMILES Cn1nc(N)c2ccc(cc12)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C16H21N7O/c1-16(2,3)23-14(18)11(15(19)24)12(20-23)8-5-6-9-10(7-8)22(4)21-13(9)17/h5-7H,18H2,1-4H3,(H2,17,21)(H2,19,24) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50388038
(CHEMBL2059171)Show SMILES O=C(CCCC1CCNCC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C23H26N4O2/c28-21(8-4-5-16-11-13-24-14-12-16)27-23-25-19-10-9-18(15-20(19)26-23)22(29)17-6-2-1-3-7-17/h1-3,6-7,9-10,15-16,24H,4-5,8,11-14H2,(H2,25,26,27,28) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 |
Bioorg Med Chem Lett 22: 5264-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50388047
(CHEMBL2059176)Show InChI InChI=1S/C21H24N4O/c22-21-24-18-7-6-17(20(26)16-4-2-1-3-5-16)14-19(18)25(21)13-10-15-8-11-23-12-9-15/h1-7,14-15,23H,8-13H2,(H2,22,24) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 |
Bioorg Med Chem Lett 22: 5264-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50388035
(CHEMBL2059168)Show SMILES NCCCCCCC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H24N4O2/c22-13-7-2-1-6-10-19(26)25-21-23-17-12-11-16(14-18(17)24-21)20(27)15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,1-2,6-7,10,13,22H2,(H2,23,24,25,26) | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 |
Bioorg Med Chem Lett 22: 5264-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446162
(CHEMBL3108993 | US9518026, Example 20 | US9956214,...)Show SMILES CN1CCC(CC1)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H23N5O/c1-24-10-8-16(9-11-24)25-19(21)17(20(22)26)18(23-25)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12,16H,8-11,21H2,1H3,(H2,22,26) | PDB
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50388041
(CHEMBL2059353)Show SMILES Nc1nc2ccc(cc2n1CC[C@@H]1CCCN1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H22N4O/c21-20-23-17-9-8-15(19(25)14-5-2-1-3-6-14)13-18(17)24(20)12-10-16-7-4-11-22-16/h1-3,5-6,8-9,13,16,22H,4,7,10-12H2,(H2,21,23)/t16-/m0/s1 | PDB
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 |
Bioorg Med Chem Lett 22: 5264-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50388040
(CHEMBL2059177)Show SMILES CN1CCC(CCn2c(N)nc3ccc(cc23)C(=O)c2ccccc2)CC1 Show InChI InChI=1S/C22H26N4O/c1-25-12-9-16(10-13-25)11-14-26-20-15-18(7-8-19(20)24-22(26)23)21(27)17-5-3-2-4-6-17/h2-8,15-16H,9-14H2,1H3,(H2,23,24) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 |
Bioorg Med Chem Lett 22: 5264-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446160
(CHEMBL3109006 | US9518026, Example 34 | US9956214,...)Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2oc(=O)ccc2c1 Show InChI InChI=1S/C17H18N4O3/c1-17(2,3)21-15(18)13(16(19)23)14(20-21)10-4-6-11-9(8-10)5-7-12(22)24-11/h4-8H,18H2,1-3H3,(H2,19,23) | PDB
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University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446161
(CHEMBL3109003 | US9518026, Example 30 | US9956214,...)Show SMILES Cn1ncc2cc(ccc12)-c1nn(c(N)c1C(N)=O)C(C)(C)C Show InChI InChI=1S/C16H20N6O/c1-16(2,3)22-14(17)12(15(18)23)13(20-22)9-5-6-11-10(7-9)8-19-21(11)4/h5-8H,17H2,1-4H3,(H2,18,23) | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446158
(CHEMBL3108917 | US9518026, Example 10 | US9956214,...)Show SMILES COc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c(N)c1C(N)=O Show InChI InChI=1S/C22H27N5O2/c1-26-9-7-14(8-10-26)13-27-21(23)19(22(24)28)20(25-27)17-4-3-16-12-18(29-2)6-5-15(16)11-17/h3-6,11-12,14H,7-10,13,23H2,1-2H3,(H2,24,28) | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446159
(CHEMBL3108915 | US9518026, Example 6 | US9956214, ...)Show InChI InChI=1S/C20H23N5O/c21-19-17(20(22)26)18(24-25(19)12-13-7-9-23-10-8-13)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,13,23H,7-10,12,21H2,(H2,22,26) | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446157
(CHEMBL3108994 | US9518026, Example 21 | US9956214,...)Show SMILES CN1CCC(Cn2nc(c(C(N)=O)c2N)-c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C21H25N5O/c1-25-10-8-14(9-11-25)13-26-20(22)18(21(23)27)19(24-26)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12,14H,8-11,13,22H2,1H3,(H2,23,27) | PDB
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446156
(CHEMBL3109001)Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2c(N)n[nH]c2c1 Show InChI InChI=1S/C15H19N7O/c1-15(2,3)22-13(17)10(14(18)23)11(21-22)7-4-5-8-9(6-7)19-20-12(8)16/h4-6H,17H2,1-3H3,(H2,18,23)(H3,16,19,20) | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50389695
(CHEMBL2070062 | US10544104, Compound 40 | US112479...)Show SMILES CC(C)n1nc(-c2ccc3cc(OCc4ccccc4)ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C25H23N5O/c1-16(2)30-25-22(24(26)27-15-28-25)23(29-30)20-9-8-19-13-21(11-10-18(19)12-20)31-14-17-6-4-3-5-7-17/h3-13,15-16H,14H2,1-2H3,(H2,26,27,28) | PDB MMDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of human SRC using Ac-EIYGEFKKK-OH as substrate after 60 mins by phosphorimaging method |
J Med Chem 55: 2416-26 (2012)
Article DOI: 10.1021/jm201713h BindingDB Entry DOI: 10.7270/Q2P2706V |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50388037
(CHEMBL2059170)Show SMILES O=C(CCC1CCNCC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C22H24N4O2/c27-20(9-6-15-10-12-23-13-11-15)26-22-24-18-8-7-17(14-19(18)25-22)21(28)16-4-2-1-3-5-16/h1-5,7-8,14-15,23H,6,9-13H2,(H2,24,25,26,27) | PDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 |
Bioorg Med Chem Lett 22: 5264-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50388042
(CHEMBL2059361)Show SMILES CN1CCN(CCn2c(N)nc3ccc(cc23)C(=O)c2ccccc2)CC1 Show InChI InChI=1S/C21H25N5O/c1-24-9-11-25(12-10-24)13-14-26-19-15-17(7-8-18(19)23-21(26)22)20(27)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H2,22,23) | PDB
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 |
Bioorg Med Chem Lett 22: 5264-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446155
(CHEMBL3109007 | US9518026, Example 35 | US9956214,...)Show InChI InChI=1S/C17H19N5O/c1-17(2,3)22-15(18)13(16(19)23)14(21-22)12-9-8-10-6-4-5-7-11(10)20-12/h4-9H,18H2,1-3H3,(H2,19,23) | PDB
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| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50345740
(3-(6-ethoxynaphthalen-2-yl)-1-isopropyl-1H-pyrazol...)Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C20H21N5O/c1-4-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17-19(21)22-11-23-20(17)25(24-18)12(2)3/h5-12H,4H2,1-3H3,(H2,21,22,23) | PDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of human LCK using Ac-EIYGEFKKK-OH as substrate after 60 mins |
J Med Chem 55: 2416-26 (2012)
Article DOI: 10.1021/jm201713h BindingDB Entry DOI: 10.7270/Q2P2706V |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446154
(CHEMBL3108989 | US9518026, Example 16 | US9956214,...)Show InChI InChI=1S/C21H24N4O/c22-20-18(21(23)26)19(24-25(20)13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h4-5,8-12,14H,1-3,6-7,13,22H2,(H2,23,26) | PDB
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| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50388036
(CHEMBL2059169)Show SMILES O=C(CC1CCNCC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C21H22N4O2/c26-19(12-14-8-10-22-11-9-14)25-21-23-17-7-6-16(13-18(17)24-21)20(27)15-4-2-1-3-5-15/h1-7,13-14,22H,8-12H2,(H2,23,24,25,26) | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 |
Bioorg Med Chem Lett 22: 5264-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50388055
(CHEMBL2059358)Show InChI InChI=1S/C19H21N3O/c1-19(2,3)12-22-16-11-14(9-10-15(16)21-18(22)20)17(23)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H2,20,21) | PDB
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| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 |
Bioorg Med Chem Lett 22: 5264-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50388052
(CHEMBL2059355)Show SMILES Nc1nc2ccc(cc2n1CC[C@H]1CCCN1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H22N4O/c21-20-23-17-9-8-15(19(25)14-5-2-1-3-6-14)13-18(17)24(20)12-10-16-7-4-11-22-16/h1-3,5-6,8-9,13,16,22H,4,7,10-12H2,(H2,21,23)/t16-/m1/s1 | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 |
Bioorg Med Chem Lett 22: 5264-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50345738
(1-isopropyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]...)Show InChI InChI=1S/C18H17N5/c1-11(2)23-18-15(17(19)20-10-21-18)16(22-23)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,19,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of human SRC using Ac-EIYGEFKKK-OH as substrate after 60 mins by phosphorimaging method |
J Med Chem 55: 2416-26 (2012)
Article DOI: 10.1021/jm201713h BindingDB Entry DOI: 10.7270/Q2P2706V |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50388054
(CHEMBL2059357)Show InChI InChI=1S/C18H19N3O/c1-12(2)11-21-16-10-14(8-9-15(16)20-18(21)19)17(22)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H2,19,20) | PDB
UniProtKB/TrEMBL
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| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 |
Bioorg Med Chem Lett 22: 5264-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50388051
(CHEMBL2059354)Show SMILES CN1CCC[C@H]1CCn1c(N)nc2ccc(cc12)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C21H24N4O/c1-24-12-5-8-17(24)11-13-25-19-14-16(9-10-18(19)23-21(25)22)20(26)15-6-3-2-4-7-15/h2-4,6-7,9-10,14,17H,5,8,11-13H2,1H3,(H2,22,23)/t17-/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 |
Bioorg Med Chem Lett 22: 5264-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50388034
(CHEMBL2059167)Show InChI InChI=1S/C18H18N4O2/c19-10-4-7-16(23)22-18-20-14-9-8-13(11-15(14)21-18)17(24)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,19H2,(H2,20,21,22,23) | PDB
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Similars
| Article PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 |
Bioorg Med Chem Lett 22: 5264-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50345739
(1-isopropyl-3-(6-methoxynaphthalen-2-yl)-1H-pyrazo...)Show InChI InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of human LCK using Ac-EIYGEFKKK-OH as substrate after 60 mins |
J Med Chem 55: 2416-26 (2012)
Article DOI: 10.1021/jm201713h BindingDB Entry DOI: 10.7270/Q2P2706V |
More data for this Ligand-Target Pair | |
Calmodulin-domain protein kinase 1
(Toxoplasma gondii) | BDBM50446153
(CHEMBL3108984 | US9518026, Example 11 | US9956214,...)Show InChI InChI=1S/C15H14N4O2/c1-21-11-5-4-8-6-10(3-2-9(8)7-11)13-12(15(17)20)14(16)19-18-13/h2-7H,1H3,(H2,17,20)(H3,16,18,19) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate |
ACS Med Chem Lett 5: 40-44 (2014)
Article DOI: 10.1021/ml400315s BindingDB Entry DOI: 10.7270/Q28917BZ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50388030
(CHEMBL170250 | US10544104, Compound 90)Show InChI InChI=1S/C17H16N4O3/c22-9-8-18-17(24)21-16-19-13-7-6-12(10-14(13)20-16)15(23)11-4-2-1-3-5-11/h1-7,10,22H,8-9H2,(H3,18,19,20,21,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of human ABL |
Bioorg Med Chem Lett 22: 5264-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50388031
(CHEMBL2059164)Show SMILES O=C(NCCC1CCNCC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 Show InChI InChI=1S/C22H25N5O2/c28-20(16-4-2-1-3-5-16)17-6-7-18-19(14-17)26-21(25-18)27-22(29)24-13-10-15-8-11-23-12-9-15/h1-7,14-15,23H,8-13H2,(H3,24,25,26,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington
Curated by ChEMBL
| Assay Description Inhibition of human ABL |
Bioorg Med Chem Lett 22: 5264-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.050 BindingDB Entry DOI: 10.7270/Q2X63P0G |
More data for this Ligand-Target Pair | |