Found 62 hits with Last Name = 'grabowska' and Initial = 'am' 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 |
Calcium/calmodulin-dependent protein kinase type 1G
(Homo sapiens (Human)) | BDBM50545573
(CHEMBL4635883 | US11530193, Example 54)Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r| Show InChI InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human CAMK1G using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1
(Homo sapiens (Human)) | BDBM50545573
(CHEMBL4635883 | US11530193, Example 54)Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r| Show InChI InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human CAMK1A using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1
(Homo sapiens (Human)) | BDBM50545576
(CHEMBL4640712 | US11530193, Example 50)Show SMILES CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)(C)C#N |r| Show InChI InChI=1S/C24H30N8O/c1-23(2,13-25)15-8-16(24(3,4)14-26)10-18(9-15)30-21-19(20(28)33)11-29-22(31-21)32-7-5-6-17(27)12-32/h8-11,17H,5-7,12,27H2,1-4H3,(H2,28,33)(H,29,30,31)/t17-/m0/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human CAMK1A using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1B
(Homo sapiens (Human)) | BDBM50545573
(CHEMBL4635883 | US11530193, Example 54)Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r| Show InChI InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1 | UniProtKB/SwissProt
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human CAMK1B using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50249319
(2-(2-aminoethylamino)-4-(3-(trifluoromethyl)phenyl...)Show InChI InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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Patents
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human SYK using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545573
(CHEMBL4635883 | US11530193, Example 54)Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r| Show InChI InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubate... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545576
(CHEMBL4640712 | US11530193, Example 50)Show SMILES CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)(C)C#N |r| Show InChI InChI=1S/C24H30N8O/c1-23(2,13-25)15-8-16(24(3,4)14-26)10-18(9-15)30-21-19(20(28)33)11-29-22(31-21)32-7-5-6-17(27)12-32/h8-11,17H,5-7,12,27H2,1-4H3,(H2,28,33)(H,29,30,31)/t17-/m0/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of HA-tagged CAMK1D (unknown origin) expressed in human MDA-MB-231 cells assessed as reduction in CAMK1D autophosphorylation measured afte... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545573
(CHEMBL4635883 | US11530193, Example 54)Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r| Show InChI InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1 | PDB MMDB
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human CAMK1D using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1B
(Homo sapiens (Human)) | BDBM50545576
(CHEMBL4640712 | US11530193, Example 50)Show SMILES CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)(C)C#N |r| Show InChI InChI=1S/C24H30N8O/c1-23(2,13-25)15-8-16(24(3,4)14-26)10-18(9-15)30-21-19(20(28)33)11-29-22(31-21)32-7-5-6-17(27)12-32/h8-11,17H,5-7,12,27H2,1-4H3,(H2,28,33)(H,29,30,31)/t17-/m0/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human CAMK1B using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545573
(CHEMBL4635883 | US11530193, Example 54)Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r| Show InChI InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1 | PDB MMDB
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of HA-tagged CAMK1D (unknown origin) expressed in human MDA-MB-231 cells assessed as reduction in CAMK1D autophosphorylation measured afte... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545587
(CHEMBL4633229 | US11530193, Example 135)Show SMILES CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H29N7O/c1-26(2,16-27)19-11-18(17-7-4-3-5-8-17)12-21(13-19)31-24-22(23(29)34)14-30-25(32-24)33-10-6-9-20(28)15-33/h3-5,7-8,11-14,20H,6,9-10,15,28H2,1-2H3,(H2,29,34)(H,30,31,32)/t20-/m0/s1 | PDB MMDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of HA-tagged CAMK1D (unknown origin) expressed in human MDA-MB-231 cells assessed as reduction in CAMK1D autophosphorylation measured afte... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545587
(CHEMBL4633229 | US11530193, Example 135)Show SMILES CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H29N7O/c1-26(2,16-27)19-11-18(17-7-4-3-5-8-17)12-21(13-19)31-24-22(23(29)34)14-30-25(32-24)33-10-6-9-20(28)15-33/h3-5,7-8,11-14,20H,6,9-10,15,28H2,1-2H3,(H2,29,34)(H,30,31,32)/t20-/m0/s1 | PDB MMDB
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubate... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50545573
(CHEMBL4635883 | US11530193, Example 54)Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r| Show InChI InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human MEK5 using ERK5 as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545576
(CHEMBL4640712 | US11530193, Example 50)Show SMILES CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)(C)C#N |r| Show InChI InChI=1S/C24H30N8O/c1-23(2,13-25)15-8-16(24(3,4)14-26)10-18(9-15)30-21-19(20(28)33)11-29-22(31-21)32-7-5-6-17(27)12-32/h8-11,17H,5-7,12,27H2,1-4H3,(H2,28,33)(H,29,30,31)/t17-/m0/s1 | PDB MMDB
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human CAMK1D using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545586
(CHEMBL4632457 | US11530193, Example 106)Show SMILES CC(C)(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H30N6O3S/c1-21(2,3)13-8-15(10-16(9-13)31(4,29)30)25-19-17(18(23)28)11-24-20(26-19)27-7-5-6-14(22)12-27/h8-11,14H,5-7,12,22H2,1-4H3,(H2,23,28)(H,24,25,26)/t14-/m0/s1 | PDB MMDB
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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubate... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545586
(CHEMBL4632457 | US11530193, Example 106)Show SMILES CC(C)(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H30N6O3S/c1-21(2,3)13-8-15(10-16(9-13)31(4,29)30)25-19-17(18(23)28)11-24-20(26-19)27-7-5-6-14(22)12-27/h8-11,14H,5-7,12,22H2,1-4H3,(H2,23,28)(H,24,25,26)/t14-/m0/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of HA-tagged CAMK1D (unknown origin) expressed in human MDA-MB-231 cells assessed as reduction in CAMK1D autophosphorylation measured afte... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545576
(CHEMBL4640712 | US11530193, Example 50)Show SMILES CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)(C)C#N |r| Show InChI InChI=1S/C24H30N8O/c1-23(2,13-25)15-8-16(24(3,4)14-26)10-18(9-15)30-21-19(20(28)33)11-29-22(31-21)32-7-5-6-17(27)12-32/h8-11,17H,5-7,12,27H2,1-4H3,(H2,28,33)(H,29,30,31)/t17-/m0/s1 | PDB MMDB
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubate... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545583
(CHEMBL4644948)Show SMILES N[C@H]1CCCN(C1)c1ncc(C(N)=O)c(Nc2cccc(c2)-c2ccccc2)n1 |r| Show InChI InChI=1S/C22H24N6O/c23-17-9-5-11-28(14-17)22-25-13-19(20(24)29)21(27-22)26-18-10-4-8-16(12-18)15-6-2-1-3-7-15/h1-4,6-8,10,12-13,17H,5,9,11,14,23H2,(H2,24,29)(H,25,26,27)/t17-/m0/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubate... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM50419254
(CHEMBL1835063)Show SMILES N[C@H]1CCCN(C1)c1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1 |r| Show InChI InChI=1S/C17H19F3N6O/c18-17(19,20)10-3-1-5-12(7-10)24-15-13(14(22)27)8-23-16(25-15)26-6-2-4-11(21)9-26/h1,3,5,7-8,11H,2,4,6,9,21H2,(H2,22,27)(H,23,24,25)/t11-/m0/s1 | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human MLK3 using myelin basic protein as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50419254
(CHEMBL1835063)Show SMILES N[C@H]1CCCN(C1)c1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1 |r| Show InChI InChI=1S/C17H19F3N6O/c18-17(19,20)10-3-1-5-12(7-10)24-15-13(14(22)27)8-23-16(25-15)26-6-2-4-11(21)9-26/h1,3,5,7-8,11H,2,4,6,9,21H2,(H2,22,27)(H,23,24,25)/t11-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human PIM1 using KKRNRTLTK as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Blk
(Homo sapiens (Human)) | BDBM50419254
(CHEMBL1835063)Show SMILES N[C@H]1CCCN(C1)c1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1 |r| Show InChI InChI=1S/C17H19F3N6O/c18-17(19,20)10-3-1-5-12(7-10)24-15-13(14(22)27)8-23-16(25-15)26-6-2-4-11(21)9-26/h1,3,5,7-8,11H,2,4,6,9,21H2,(H2,22,27)(H,23,24,25)/t11-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human BLK using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50419254
(CHEMBL1835063)Show SMILES N[C@H]1CCCN(C1)c1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1 |r| Show InChI InChI=1S/C17H19F3N6O/c18-17(19,20)10-3-1-5-12(7-10)24-15-13(14(22)27)8-23-16(25-15)26-6-2-4-11(21)9-26/h1,3,5,7-8,11H,2,4,6,9,21H2,(H2,22,27)(H,23,24,25)/t11-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human SYK using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 4
(Homo sapiens (Human)) | BDBM50419254
(CHEMBL1835063)Show SMILES N[C@H]1CCCN(C1)c1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1 |r| Show InChI InChI=1S/C17H19F3N6O/c18-17(19,20)10-3-1-5-12(7-10)24-15-13(14(22)27)8-23-16(25-15)26-6-2-4-11(21)9-26/h1,3,5,7-8,11H,2,4,6,9,21H2,(H2,22,27)(H,23,24,25)/t11-/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human RIPK4 using histone H2A as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545584
(CHEMBL4640492 | US11530193, Example 4)Show SMILES CC(C)(C#N)c1cccc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)c1 |r| Show InChI InChI=1S/C20H25N7O/c1-20(2,12-21)13-5-3-7-15(9-13)25-18-16(17(23)28)10-24-19(26-18)27-8-4-6-14(22)11-27/h3,5,7,9-10,14H,4,6,8,11,22H2,1-2H3,(H2,23,28)(H,24,25,26)/t14-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubate... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545582
(CHEMBL4640445 | US11530193, Example 5)Show SMILES CS(=O)(=O)c1cccc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)c1 |r| Show InChI InChI=1S/C17H22N6O3S/c1-27(25,26)13-6-2-5-12(8-13)21-16-14(15(19)24)9-20-17(22-16)23-7-3-4-11(18)10-23/h2,5-6,8-9,11H,3-4,7,10,18H2,1H3,(H2,19,24)(H,20,21,22)/t11-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubate... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545585
(CHEMBL4634851)Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)C |r| Show InChI InChI=1S/C22H32N6O/c1-13(2)15-8-16(14(3)4)10-18(9-15)26-21-19(20(24)29)11-25-22(27-21)28-7-5-6-17(23)12-28/h8-11,13-14,17H,5-7,12,23H2,1-4H3,(H2,24,29)(H,25,26,27)/t17-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubate... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50419254
(CHEMBL1835063)Show SMILES N[C@H]1CCCN(C1)c1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1 |r| Show InChI InChI=1S/C17H19F3N6O/c18-17(19,20)10-3-1-5-12(7-10)24-15-13(14(22)27)8-23-16(25-15)26-6-2-4-11(21)9-26/h1,3,5,7-8,11H,2,4,6,9,21H2,(H2,22,27)(H,23,24,25)/t11-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 168 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50419254
(CHEMBL1835063)Show SMILES N[C@H]1CCCN(C1)c1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1 |r| Show InChI InChI=1S/C17H19F3N6O/c18-17(19,20)10-3-1-5-12(7-10)24-15-13(14(22)27)8-23-16(25-15)26-6-2-4-11(21)9-26/h1,3,5,7-8,11H,2,4,6,9,21H2,(H2,22,27)(H,23,24,25)/t11-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 179 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human CAMK1D using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50419254
(CHEMBL1835063)Show SMILES N[C@H]1CCCN(C1)c1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1 |r| Show InChI InChI=1S/C17H19F3N6O/c18-17(19,20)10-3-1-5-12(7-10)24-15-13(14(22)27)8-23-16(25-15)26-6-2-4-11(21)9-26/h1,3,5,7-8,11H,2,4,6,9,21H2,(H2,22,27)(H,23,24,25)/t11-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubate... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50419254
(CHEMBL1835063)Show SMILES N[C@H]1CCCN(C1)c1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1 |r| Show InChI InChI=1S/C17H19F3N6O/c18-17(19,20)10-3-1-5-12(7-10)24-15-13(14(22)27)8-23-16(25-15)26-6-2-4-11(21)9-26/h1,3,5,7-8,11H,2,4,6,9,21H2,(H2,22,27)(H,23,24,25)/t11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human MEK5 using ERK5 as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545581
(CHEMBL4632574)Show SMILES CC(C)(C)c1cccc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)c1 |r| Show InChI InChI=1S/C20H28N6O/c1-20(2,3)13-6-4-8-15(10-13)24-18-16(17(22)27)11-23-19(25-18)26-9-5-7-14(21)12-26/h4,6,8,10-11,14H,5,7,9,12,21H2,1-3H3,(H2,22,27)(H,23,24,25)/t14-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 277 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubate... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545585
(CHEMBL4634851)Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)C |r| Show InChI InChI=1S/C22H32N6O/c1-13(2)15-8-16(14(3)4)10-18(9-15)26-21-19(20(24)29)11-25-22(27-21)28-7-5-6-17(23)12-28/h8-11,13-14,17H,5-7,12,23H2,1-4H3,(H2,24,29)(H,25,26,27)/t17-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 285 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of HA-tagged CAMK1D (unknown origin) expressed in human MDA-MB-231 cells assessed as reduction in CAMK1D autophosphorylation measured afte... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50419254
(CHEMBL1835063)Show SMILES N[C@H]1CCCN(C1)c1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1 |r| Show InChI InChI=1S/C17H19F3N6O/c18-17(19,20)10-3-1-5-12(7-10)24-15-13(14(22)27)8-23-16(25-15)26-6-2-4-11(21)9-26/h1,3,5,7-8,11H,2,4,6,9,21H2,(H2,22,27)(H,23,24,25)/t11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 356 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human TAK1 using casein as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545575
(CHEMBL4648967 | US11530193, Example 3)Show SMILES CC(C)(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)(C)C |r| Show InChI InChI=1S/C24H36N6O/c1-23(2,3)15-10-16(24(4,5)6)12-18(11-15)28-21-19(20(26)31)13-27-22(29-21)30-9-7-8-17(25)14-30/h10-13,17H,7-9,14,25H2,1-6H3,(H2,26,31)(H,27,28,29)/t17-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 399 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human CAMK1D using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50249319
(2-(2-aminoethylamino)-4-(3-(trifluoromethyl)phenyl...)Show InChI InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 432 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubate... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545580
(CHEMBL4639597)Show SMILES N[C@H]1CCCN(C1)c1ncc(C(N)=O)c(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1 |r| Show InChI InChI=1S/C18H18F6N6O/c19-17(20,21)9-4-10(18(22,23)24)6-12(5-9)28-15-13(14(26)31)7-27-16(29-15)30-3-1-2-11(25)8-30/h4-7,11H,1-3,8,25H2,(H2,26,31)(H,27,28,29)/t11-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 455 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubate... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50249319
(2-(2-aminoethylamino)-4-(3-(trifluoromethyl)phenyl...)Show InChI InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 456 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human CAMK1D using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545578
(CHEMBL4644912)Show SMILES NC1CCCN(C1)c1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1 Show InChI InChI=1S/C17H19F3N6O/c18-17(19,20)10-3-1-5-12(7-10)24-15-13(14(22)27)8-23-16(25-15)26-6-2-4-11(21)9-26/h1,3,5,7-8,11H,2,4,6,9,21H2,(H2,22,27)(H,23,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 485 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubate... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545577
(CHEMBL4642539)Show SMILES CN(CCN)c1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1 Show InChI InChI=1S/C15H17F3N6O/c1-24(6-5-19)14-21-8-11(12(20)25)13(23-14)22-10-4-2-3-9(7-10)15(16,17)18/h2-4,7-8H,5-6,19H2,1H3,(H2,20,25)(H,21,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 851 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubate... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50545576
(CHEMBL4640712 | US11530193, Example 50)Show SMILES CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)(C)C#N |r| Show InChI InChI=1S/C24H30N8O/c1-23(2,13-25)15-8-16(24(3,4)14-26)10-18(9-15)30-21-19(20(28)33)11-29-22(31-21)32-7-5-6-17(27)12-32/h8-11,17H,5-7,12,27H2,1-4H3,(H2,28,33)(H,29,30,31)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545579
(CHEMBL4640950)Show SMILES N[C@@H]1CCCN(C1)c1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1 |r| Show InChI InChI=1S/C17H19F3N6O/c18-17(19,20)10-3-1-5-12(7-10)24-15-13(14(22)27)8-23-16(25-15)26-6-2-4-11(21)9-26/h1,3,5,7-8,11H,2,4,6,9,21H2,(H2,22,27)(H,23,24,25)/t11-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubate... |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM50545573
(CHEMBL4635883 | US11530193, Example 54)Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r| Show InChI InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1 | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 2.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human MLK3 using myelin basic protein as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type 1D
(Homo sapiens (Human)) | BDBM50545574
(CHEMBL4632887)Show SMILES CNCCN(C)c1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1 Show InChI InChI=1S/C16H19F3N6O/c1-21-6-7-25(2)15-22-9-12(13(20)26)14(24-15)23-11-5-3-4-10(8-11)16(17,18)19/h3-5,8-9,21H,6-7H2,1-2H3,(H2,20,26)(H,22,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human CAMK1D using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50545573
(CHEMBL4635883 | US11530193, Example 54)Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r| Show InChI InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human ERG by Ionworks electrophysiology assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 4
(Homo sapiens (Human)) | BDBM50545573
(CHEMBL4635883 | US11530193, Example 54)Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r| Show InChI InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 5.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human RIPK4 using histone H2A as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50545576
(CHEMBL4640712 | US11530193, Example 50)Show SMILES CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)(C)C#N |r| Show InChI InChI=1S/C24H30N8O/c1-23(2,13-25)15-8-16(24(3,4)14-26)10-18(9-15)30-21-19(20(28)33)11-29-22(31-21)32-7-5-6-17(27)12-32/h8-11,17H,5-7,12,27H2,1-4H3,(H2,28,33)(H,29,30,31)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50545573
(CHEMBL4635883 | US11530193, Example 54)Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r| Show InChI InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50545576
(CHEMBL4640712 | US11530193, Example 50)Show SMILES CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)(C)C#N |r| Show InChI InChI=1S/C24H30N8O/c1-23(2,13-25)15-8-16(24(3,4)14-26)10-18(9-15)30-21-19(20(28)33)11-29-22(31-21)32-7-5-6-17(27)12-32/h8-11,17H,5-7,12,27H2,1-4H3,(H2,28,33)(H,29,30,31)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human ERG by Ionworks electrophysiology assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma
(Homo sapiens (Human)) | BDBM50545576
(CHEMBL4640712 | US11530193, Example 50)Show SMILES CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)(C)C#N |r| Show InChI InChI=1S/C24H30N8O/c1-23(2,13-25)15-8-16(24(3,4)14-26)10-18(9-15)30-21-19(20(28)33)11-29-22(31-21)32-7-5-6-17(27)12-32/h8-11,17H,5-7,12,27H2,1-4H3,(H2,28,33)(H,29,30,31)/t17-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 7.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human PIP5K1C using PI(4)P:PS as substrate by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50545576
(CHEMBL4640712 | US11530193, Example 50)Show SMILES CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)(C)C#N |r| Show InChI InChI=1S/C24H30N8O/c1-23(2,13-25)15-8-16(24(3,4)14-26)10-18(9-15)30-21-19(20(28)33)11-29-22(31-21)32-7-5-6-17(27)12-32/h8-11,17H,5-7,12,27H2,1-4H3,(H2,28,33)(H,29,30,31)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 7.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human MEK5 using ERK5 as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay |
J Med Chem 63: 6784-6801 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01803 BindingDB Entry DOI: 10.7270/Q2QF8XG3 |
More data for this Ligand-Target Pair | |