Found 197 hits with Last Name = 'jones' and Initial = 'dh' 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 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
KEGG
UniProtKB/SwissProt
B.MOAD
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PC sid
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UniChem
| 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 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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
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PC cid
PC sid
PDB
UniChem
| 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 | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591091
(CHEMBL5169387)Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50299586
((S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrim...)Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r| Show InChI InChI=1S/C22H27N7O3/c1-14-11-23-19-18(14)20(25-13-24-19)28-8-9-29(15(2)12-28)21(30)26-16-6-5-7-17(10-16)32-22(31)27(3)4/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,30)(H,23,24,25)/t15-/m0/s1 | PDB
MMDB
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| CHEMBL
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PC sid
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| Article
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
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
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| Article
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| 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 | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50299586
((S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrim...)Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r| Show InChI InChI=1S/C22H27N7O3/c1-14-11-23-19-18(14)20(25-13-24-19)28-8-9-29(15(2)12-28)21(30)26-16-6-5-7-17(10-16)32-22(31)27(3)4/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,30)(H,23,24,25)/t15-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50299586
((S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrim...)Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r| Show InChI InChI=1S/C22H27N7O3/c1-14-11-23-19-18(14)20(25-13-24-19)28-8-9-29(15(2)12-28)21(30)26-16-6-5-7-17(10-16)32-22(31)27(3)4/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,30)(H,23,24,25)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
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 | |
LIM domain kinase 1/2
(Homo sapiens (Human)) | BDBM50299586
((S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrim...)Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r| Show InChI InChI=1S/C22H27N7O3/c1-14-11-23-19-18(14)20(25-13-24-19)28-8-9-29(15(2)12-28)21(30)26-16-6-5-7-17(10-16)32-22(31)27(3)4/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,30)(H,23,24,25)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50299586
((S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrim...)Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r| Show InChI InChI=1S/C22H27N7O3/c1-14-11-23-19-18(14)20(25-13-24-19)28-8-9-29(15(2)12-28)21(30)26-16-6-5-7-17(10-16)32-22(31)27(3)4/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,30)(H,23,24,25)/t15-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50591091
(CHEMBL5169387)Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 | PDB
MMDB
NCI pathway
Reactome pathway
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antibodypedia
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UniChem
| PDB
Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50591314
(CHEMBL5202859)Show SMILES CN1c2ccc(Cl)cc2OC[C@H](N2CCc3c(nn(Cc4ccccc4)c3C(N)=O)C2=O)C1=O |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
PC sid
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UniChem
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50043510
(CHEMBL3355507)Show SMILES CCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C22H22N2O3S/c1-2-24(17-18-9-5-3-6-10-18)22(25)19-13-15-21(16-14-19)28(26,27)23-20-11-7-4-8-12-20/h3-16,23H,2,17H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591090
(CHEMBL2141887)Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| | PDB
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| PDB
Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591091
(CHEMBL5169387)Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 | PDB
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| PDB
Article
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| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50044004
(CHEMBL3356433)Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27) | PDB
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| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
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
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CHEMBL
MCE
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PC sid
UniChem
Patents
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| 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 | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50591091
(CHEMBL5169387)Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 | PDB
MMDB
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KEGG
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UniChem
| PDB
Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50043501
(CHEMBL3355509)Show SMILES O=C(N(CCC#N)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C23H21N3O3S/c24-16-7-17-26(18-19-8-3-1-4-9-19)23(27)20-12-14-22(15-13-20)30(28,29)25-21-10-5-2-6-11-21/h1-6,8-15,25H,7,17-18H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50112355
(CHEMBL3609326)Show SMILES CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O Show InChI InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32) | PDB
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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50591314
(CHEMBL5202859)Show SMILES CN1c2ccc(Cl)cc2OC[C@H](N2CCc3c(nn(Cc4ccccc4)c3C(N)=O)C2=O)C1=O |r| | PDB
MMDB
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UniChem
| Article
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| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
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
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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 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
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PC sid
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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 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
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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 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 | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50043501
(CHEMBL3355509)Show SMILES O=C(N(CCC#N)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C23H21N3O3S/c24-16-7-17-26(18-19-8-3-1-4-9-19)23(27)20-12-14-22(15-13-20)30(28,29)25-21-10-5-2-6-11-21/h1-6,8-15,25H,7,17-18H2 | PDB
MMDB
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
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
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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 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
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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 | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50044004
(CHEMBL3356433)Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27) | PDB
MMDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50044004
(CHEMBL3356433)Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50112355
(CHEMBL3609326)Show SMILES CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O Show InChI InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32) | PDB
MMDB
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UniChem
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50043510
(CHEMBL3355507)Show SMILES CCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C22H22N2O3S/c1-2-24(17-18-9-5-3-6-10-18)22(25)19-13-15-21(16-14-19)28(26,27)23-20-11-7-4-8-12-20/h3-16,23H,2,17H2,1H3 | PDB
MMDB
NCI pathway
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KEGG
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| CHEMBL
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UniChem
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50591082
(CHEMBL4790618)Show SMILES CCCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 | PDB
MMDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50591082
(CHEMBL4790618)Show SMILES CCCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 | PDB
MMDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50591311
(CHEMBL3182065)Show SMILES FC(F)c1cc(-c2cnc(NC(=O)C3CC3)s2)n(n1)-c1c(Cl)cccc1Cl |(6.16,-4.92,;4.94,-4.79,;4.22,-5.79,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;5.82,1.09,;5.78,2.63,;4.3,3.07,;3.79,4.52,;4.79,5.69,;6,5.46,;4.28,7.14,;4.59,8.57,;3.14,8.05,;3.43,1.8,;2.67,-1.54,;2.81,-3.06,;1.33,-.77,;1.33,.77,;2.4,1.39,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-2.77,)| | PDB
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UniChem
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591311
(CHEMBL3182065)Show SMILES FC(F)c1cc(-c2cnc(NC(=O)C3CC3)s2)n(n1)-c1c(Cl)cccc1Cl |(6.16,-4.92,;4.94,-4.79,;4.22,-5.79,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;5.82,1.09,;5.78,2.63,;4.3,3.07,;3.79,4.52,;4.79,5.69,;6,5.46,;4.28,7.14,;4.59,8.57,;3.14,8.05,;3.43,1.8,;2.67,-1.54,;2.81,-3.06,;1.33,-.77,;1.33,.77,;2.4,1.39,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-2.77,)| | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
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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antibodypedia
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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 | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50299586
((S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrim...)Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r| Show InChI InChI=1S/C22H27N7O3/c1-14-11-23-19-18(14)20(25-13-24-19)28-8-9-29(15(2)12-28)21(30)26-16-6-5-7-17(10-16)32-22(31)27(3)4/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,30)(H,23,24,25)/t15-/m0/s1 | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50299586
((S)-3-(2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrim...)Show SMILES C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r| Show InChI InChI=1S/C22H27N7O3/c1-14-11-23-19-18(14)20(25-13-24-19)28-8-9-29(15(2)12-28)21(30)26-16-6-5-7-17(10-16)32-22(31)27(3)4/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,30)(H,23,24,25)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
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
KEGG
UniProtKB/SwissProt
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antibodypedia
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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 | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50044004
(CHEMBL3356433)Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27) | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
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
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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
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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 | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591091
(CHEMBL5169387)Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50591090
(CHEMBL2141887)Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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
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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 | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50591091
(CHEMBL5169387)Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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
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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 | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50591311
(CHEMBL3182065)Show SMILES FC(F)c1cc(-c2cnc(NC(=O)C3CC3)s2)n(n1)-c1c(Cl)cccc1Cl |(6.16,-4.92,;4.94,-4.79,;4.22,-5.79,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;5.82,1.09,;5.78,2.63,;4.3,3.07,;3.79,4.52,;4.79,5.69,;6,5.46,;4.28,7.14,;4.59,8.57,;3.14,8.05,;3.43,1.8,;2.67,-1.54,;2.81,-3.06,;1.33,-.77,;1.33,.77,;2.4,1.39,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;,-2.77,)| | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
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
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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 | |
LIM domain kinase 1/2
(Homo sapiens (Human)) | BDBM50112355
(CHEMBL3609326)Show SMILES CCn1c2nc(Nc3ccc(N4CCNCC4)c(F)c3)ncc2cc(-c2ccc(Cl)cc2Cl)c1=O Show InChI InChI=1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32) | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00751
BindingDB Entry DOI: 10.7270/Q2F193Q2 |
More data for this
Ligand-Target Pair | |
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