Found 606 hits with Last Name = 'block' and Initial = 'mh' 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 |
|---|
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353767
(CHEMBL1829430)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50116590
(CHEMBL325486 | N-(9-Methanesulfonyl-9H-carbazol-3-...)Show SMILES CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12 Show InChI InChI=1S/C21H19N3O3S/c1-28(26,27)24-19-5-3-2-4-17(19)18-14-16(7-8-20(18)24)23-21(25)9-6-15-10-12-22-13-11-15/h2-5,7-8,10-14H,6,9H2,1H3,(H,23,25) | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5) |
J Med Chem 45: 3509-23 (2002)
BindingDB Entry DOI: 10.7270/Q27S7N3K |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353767
(CHEMBL1829430)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3 | 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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50116610
(CHEMBL119743 | N-(9-Isopropyl-9H-carbazol-3-yl)-3-...)Show InChI InChI=1S/C23H23N3O/c1-16(2)26-21-6-4-3-5-19(21)20-15-18(8-9-22(20)26)25-23(27)10-7-17-11-13-24-14-12-17/h3-6,8-9,11-16H,7,10H2,1-2H3,(H,25,27) | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5) |
J Med Chem 45: 3509-23 (2002)
BindingDB Entry DOI: 10.7270/Q27S7N3K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50343726
((S)-5-fluoro-2-(1-(5-fluoropyridin-2-yl)ethylamino...)Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cn1 |r| Show InChI InChI=1S/C17H15F2N7/c1-9-5-15(26-25-9)23-17-13(19)6-11(7-20)16(24-17)22-10(2)14-4-3-12(18)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human JAK2 |
Bioorg Med Chem Lett 21: 2958-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50392791
(CHEMBL2151321 | US8486966, 1)Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r| Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1 | 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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Abl |
ACS Med Chem Lett 3: 705-709 (2012)
Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50392791
(CHEMBL2151321 | US8486966, 1)Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r| Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TrkA |
ACS Med Chem Lett 3: 705-709 (2012)
Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353788
(CHEMBL1829433)Show SMILES CC(C)C(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50116602
(CHEMBL419951 | Morpholine-4-carboxylic acid (9-iso...)Show InChI InChI=1S/C20H23N3O2/c1-14(2)23-18-6-4-3-5-16(18)17-13-15(7-8-19(17)23)21-20(24)22-9-11-25-12-10-22/h3-8,13-14H,9-12H2,1-2H3,(H,21,24) | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5) |
J Med Chem 45: 3509-23 (2002)
BindingDB Entry DOI: 10.7270/Q27S7N3K |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353788
(CHEMBL1829433)Show SMILES CC(C)C(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50116619
(CHEMBL117563 | Morpholine-4-carboxylic acid (9-iso...)Show SMILES CC(C)n1c2ccc(NC(=O)N3CCOCC3)cc2c2cccc(C)c12 Show InChI InChI=1S/C21H25N3O2/c1-14(2)24-19-8-7-16(22-21(25)23-9-11-26-12-10-23)13-18(19)17-6-4-5-15(3)20(17)24/h4-8,13-14H,9-12H2,1-3H3,(H,22,25) | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5) |
J Med Chem 45: 3509-23 (2002)
BindingDB Entry DOI: 10.7270/Q27S7N3K |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50116600
(CHEMBL325475 | N-(9-Ethyl-9H-carbazol-3-yl)-3-pyri...)Show InChI InChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-15-17(8-9-21(19)25)24-22(26)10-7-16-11-13-23-14-12-16/h3-6,8-9,11-15H,2,7,10H2,1H3,(H,24,26) | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5) |
J Med Chem 45: 3509-23 (2002)
BindingDB Entry DOI: 10.7270/Q27S7N3K |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50392791
(CHEMBL2151321 | US8486966, 1)Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r| Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Flt3 |
ACS Med Chem Lett 3: 705-709 (2012)
Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Fgr
(Homo sapiens (Human)) | BDBM50392791
(CHEMBL2151321 | US8486966, 1)Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r| Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Fgr |
ACS Med Chem Lett 3: 705-709 (2012)
Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50388781
(CHEMBL2062585)Show SMILES CC(=O)Nc1ccc2n(CCC(O)=O)cc(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1 Show InChI InChI=1S/C23H21N7O3/c1-13(31)26-16-4-5-20-17(8-16)18(12-29(20)7-6-22(32)33)19-9-21(27-15-2-3-15)30-23(28-19)14(10-24)11-25-30/h4-5,8-9,11-12,15,27H,2-3,6-7H2,1H3,(H,26,31)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged CK2alpha expressed in Sf21 insect cells using CK2tide as substrate treated for 20 ... |
Bioorg Med Chem Lett 28: 1336-1341 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50343726
((S)-5-fluoro-2-(1-(5-fluoropyridin-2-yl)ethylamino...)Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cn1 |r| Show InChI InChI=1S/C17H15F2N7/c1-9-5-15(26-25-9)23-17-13(19)6-11(7-20)16(24-17)22-10(2)14-4-3-12(18)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of human TRKA |
Bioorg Med Chem Lett 21: 2958-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD |
More data for this
Ligand-Target Pair | |
Homeodomain-interacting protein kinase 2
(Homo sapiens (Human)) | BDBM50460939
(CHEMBL4228654)Show SMILES CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cc3)C(O)=O)c2c1 Show InChI InChI=1S/C21H19N5O2/c1-13(2)24-17-8-7-16-10-23-26(19(16)9-17)20-12-22-11-18(25-20)14-3-5-15(6-4-14)21(27)28/h3-13,24H,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of HIPK2 (unknown origin) |
Bioorg Med Chem Lett 28: 1336-1341 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50335638
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25) | PDB
UniProtKB/SwissProt
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Similars
| PDB
Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged CK2alpha expressed in Sf21 insect cells using CK2tide as substrate treated for 20 ... |
Bioorg Med Chem Lett 28: 1336-1341 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase pim-3
(Homo sapiens (Human)) | BDBM50460939
(CHEMBL4228654)Show SMILES CC(C)Nc1ccc2cnn(-c3cncc(n3)-c3ccc(cc3)C(O)=O)c2c1 Show InChI InChI=1S/C21H19N5O2/c1-13(2)24-17-8-7-16-10-23-26(19(16)9-17)20-12-22-11-18(25-20)14-3-5-15(6-4-14)21(27)28/h3-13,24H,1-2H3,(H,27,28) | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of PIM3 (unknown origin) |
Bioorg Med Chem Lett 28: 1336-1341 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50437434
(CHEMBL2409175)Show SMILES CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1C Show InChI InChI=1S/C19H19N7O/c1-11-3-4-15(7-16(11)22-12(2)27)23-17-8-18(24-14-5-6-14)26-19(25-17)13(9-20)10-21-26/h3-4,7-8,10,14,24H,5-6H2,1-2H3,(H,22,27)(H,23,25) | PDB
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| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged CK2alpha expressed in Sf21 insect cells using CK2tide as substrate treated for 20 ... |
Bioorg Med Chem Lett 28: 1336-1341 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50460945
(CHEMBL4225287)Show SMILES CC(C)Nc1ccc2ccn(-c3cncc(n3)-c3ccc(cc3)C(O)=O)c2c1 Show InChI InChI=1S/C22H20N4O2/c1-14(2)24-18-8-7-16-9-10-26(20(16)11-18)21-13-23-12-19(25-21)15-3-5-17(6-4-15)22(27)28/h3-14,24H,1-2H3,(H,27,28) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged CK2alpha expressed in Sf21 insect cells using CK2tide as substrate treated for 20 ... |
Bioorg Med Chem Lett 28: 1336-1341 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.018
BindingDB Entry DOI: 10.7270/Q2DB84H6 |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353767
(CHEMBL1829430)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353799
(CHEMBL1829424)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)24-29-25-22(14-17-34-25)27(33)31(24)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353799
(CHEMBL1829424)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)24-29-25-22(14-17-34-25)27(33)31(24)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m
BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50335201
(5-Chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...)Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1 | PDB
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AstraZeneca R&D
Curated by ChEMBL
| Assay Description
Inhibition of TrkA |
J Med Chem 54: 262-76 (2011)
Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50335202
(5-Chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...)Show SMILES COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1 |r| Show InChI InChI=1S/C14H14ClFN8O/c1-7(12-17-4-8(16)5-18-12)20-14-19-6-9(15)13(22-14)21-10-3-11(25-2)24-23-10/h3-7H,1-2H3,(H3,19,20,21,22,23,24)/t7-/m0/s1 | PDB
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AstraZeneca R&D
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 using Km ATP concentration |
J Med Chem 54: 262-76 (2011)
Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50335203
(CHEMBL1650698 | N4-(5-Cyclopropyl-1H-pyrazol-3-yl)...)Show SMILES C[C@H](Nc1ncc(F)c(Nc2cc(n[nH]2)C2CC2)n1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C16H16F2N8/c1-8(14-19-5-10(17)6-20-14)22-16-21-7-11(18)15(24-16)23-13-4-12(25-26-13)9-2-3-9/h4-9H,2-3H2,1H3,(H3,21,22,23,24,25,26)/t8-/m0/s1 | PDB
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AstraZeneca R&D
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 using Km ATP concentration |
J Med Chem 54: 262-76 (2011)
Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001129
(CHEMBL3236390)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(OCC#CC#CCOC(C(=O)N1CC[C@]2([H])C[C@]3([H])CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N3[C@]2([H])C1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C54H70N8O8/c1-35(55-3)49(63)57-43-23-15-21-41-31-39-25-27-59(33-45(39)61(41)51(43)65)53(67)47(37-17-9-7-10-18-37)69-29-13-5-6-14-30-70-48(38-19-11-8-12-20-38)54(68)60-28-26-40-32-42-22-16-24-44(58-50(64)36(2)56-4)52(66)62(42)46(40)34-60/h7-12,17-20,35-36,39-48,55-56H,15-16,21-34H2,1-4H3,(H,57,63)(H,58,64)/t35-,36-,39+,40+,41-,42-,43-,44-,45+,46+,47?,48?/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50001129
(CHEMBL3236390)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(OCC#CC#CCOC(C(=O)N1CC[C@]2([H])C[C@]3([H])CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N3[C@]2([H])C1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C54H70N8O8/c1-35(55-3)49(63)57-43-23-15-21-41-31-39-25-27-59(33-45(39)61(41)51(43)65)53(67)47(37-17-9-7-10-18-37)69-29-13-5-6-14-30-70-48(38-19-11-8-12-20-38)54(68)60-28-26-40-32-42-22-16-24-44(58-50(64)36(2)56-4)52(66)62(42)46(40)34-60/h7-12,17-20,35-36,39-48,55-56H,15-16,21-34H2,1-4H3,(H,57,63)(H,58,64)/t35-,36-,39+,40+,41-,42-,43-,44-,45+,46+,47?,48?/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of cIAP1 BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50343727
((S)-5-chloro-2-(1-(5-fluoropyridin-2-yl)ethylamino...)Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(Cl)cc1C#N)c1ccc(F)cn1 |r| Show InChI InChI=1S/C17H15ClFN7/c1-9-5-15(26-25-9)23-17-13(18)6-11(7-20)16(24-17)22-10(2)14-4-3-12(19)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1 | PDB
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AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 after 60 min |
Bioorg Med Chem Lett 21: 2958-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50343726
((S)-5-fluoro-2-(1-(5-fluoropyridin-2-yl)ethylamino...)Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cn1 |r| Show InChI InChI=1S/C17H15F2N7/c1-9-5-15(26-25-9)23-17-13(19)6-11(7-20)16(24-17)22-10(2)14-4-3-12(18)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 after 60 min |
Bioorg Med Chem Lett 21: 2958-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50343725
((S)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)-6-(5...)Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H16F2N6/c1-10-7-16(26-25-10)23-18-15(20)8-13(9-21)17(24-18)22-11(2)12-3-5-14(19)6-4-12/h3-8,11H,1-2H3,(H3,22,23,24,25,26)/t11-/m0/s1 | PDB
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AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 after 60 min |
Bioorg Med Chem Lett 21: 2958-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50116592
(CHEMBL325226 | Morpholine-4-carboxylic acid (9-iso...)Show SMILES CC(C)n1c2ccccc2c2c(C)c(NC(=O)N3CCOCC3)ccc12 Show InChI InChI=1S/C21H25N3O2/c1-14(2)24-18-7-5-4-6-16(18)20-15(3)17(8-9-19(20)24)22-21(25)23-10-12-26-13-11-23/h4-9,14H,10-13H2,1-3H3,(H,22,25) | KEGG
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5) |
J Med Chem 45: 3509-23 (2002)
BindingDB Entry DOI: 10.7270/Q27S7N3K |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50116605
(CHEMBL432628 | Morpholine-4-carboxylic acid (6-flu...)Show SMILES CC(C)n1c2ccc(F)cc2c2cc(NC(=O)N3CCOCC3)ccc12 Show InChI InChI=1S/C20H22FN3O2/c1-13(2)24-18-5-3-14(21)11-16(18)17-12-15(4-6-19(17)24)22-20(25)23-7-9-26-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,22,25) | KEGG
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5) |
J Med Chem 45: 3509-23 (2002)
BindingDB Entry DOI: 10.7270/Q27S7N3K |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50116617
(CHEMBL116210 | N-(9-Acetyl-9H-carbazol-3-yl)-3-pyr...)Show SMILES CC(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12 Show InChI InChI=1S/C22H19N3O2/c1-15(26)25-20-5-3-2-4-18(20)19-14-17(7-8-21(19)25)24-22(27)9-6-16-10-12-23-13-11-16/h2-5,7-8,10-14H,6,9H2,1H3,(H,24,27) | KEGG
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AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to the human Neuropeptide Y receptor Y5 (NPY5) |
J Med Chem 45: 3509-23 (2002)
BindingDB Entry DOI: 10.7270/Q27S7N3K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50343723
((S)-6-(5-cyclopropyl-1H-pyrazol-3-ylamino)-5-fluor...)Show SMILES C[C@H](Nc1nc(Nc2cc(n[nH]2)C2CC2)c(F)cc1C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H18F2N6/c1-11(12-4-6-15(21)7-5-12)24-19-14(10-23)8-16(22)20(26-19)25-18-9-17(27-28-18)13-2-3-13/h4-9,11,13H,2-3H2,1H3,(H3,24,25,26,27,28)/t11-/m0/s1 | PDB
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AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 after 60 min |
Bioorg Med Chem Lett 21: 2958-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.053
BindingDB Entry DOI: 10.7270/Q2PN95ZD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50392791
(CHEMBL2151321 | US8486966, 1)Show SMILES CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r| Show InChI InChI=1S/C19H20FN7O/c1-11(2)28-18-8-17(25-26-18)27-10-22-15-6-7-16(24-19(15)27)23-12(3)14-5-4-13(20)9-21-14/h4-12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1 | PDB
MMDB
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Reactome pathway
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BTK |
ACS Med Chem Lett 3: 705-709 (2012)
Article DOI: 10.1021/ml300074j
BindingDB Entry DOI: 10.7270/Q2GH9K2G |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-3
(Homo sapiens (Human)) | BDBM50387299
(CHEMBL2048873)Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccncc1 |r,w:9.9,c:14| Show InChI InChI=1S/C20H20N4O2S/c21-15-4-2-10-24(12-15)18-14(11-17-19(25)23-20(26)27-17)3-1-5-16(18)13-6-8-22-9-7-13/h1,3,5-9,11,15H,2,4,10,12,21H2,(H,23,25,26)/t15-/m1/s1 | KEGG
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human PIM3 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP |
Bioorg Med Chem Lett 22: 4599-604 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50387299
(CHEMBL2048873)Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccncc1 |r,w:9.9,c:14| Show InChI InChI=1S/C20H20N4O2S/c21-15-4-2-10-24(12-15)18-14(11-17-19(25)23-20(26)27-17)3-1-5-16(18)13-6-8-22-9-7-13/h1,3,5-9,11,15H,2,4,10,12,21H2,(H,23,25,26)/t15-/m1/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human PIM1 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 5 mM ATP |
Bioorg Med Chem Lett 22: 4599-604 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50335212
(CHEMBL1650725 | N2-[(1S)-1-(5-fluoropyrimidin-2-yl...)Show SMILES C[C@H](Nc1ncc(C)c(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C15H17FN8/c1-8-5-19-15(20-10(3)14-17-6-11(16)7-18-14)22-13(8)21-12-4-9(2)23-24-12/h4-7,10H,1-3H3,(H3,19,20,21,22,23,24)/t10-/m0/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 using 5 mM of ATP |
J Med Chem 54: 262-76 (2011)
Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50335205
(5-bromo-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-...)Show SMILES COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Br)[nH]n1 |r| Show InChI InChI=1S/C14H14BrFN8O/c1-7(12-17-4-8(16)5-18-12)20-14-19-6-9(15)13(22-14)21-10-3-11(25-2)24-23-10/h3-7H,1-2H3,(H3,19,20,21,22,23,24)/t7-/m0/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 using Km ATP concentration |
J Med Chem 54: 262-76 (2011)
Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001129
(CHEMBL3236390)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(OCC#CC#CCOC(C(=O)N1CC[C@]2([H])C[C@]3([H])CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N3[C@]2([H])C1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C54H70N8O8/c1-35(55-3)49(63)57-43-23-15-21-41-31-39-25-27-59(33-45(39)61(41)51(43)65)53(67)47(37-17-9-7-10-18-37)69-29-13-5-6-14-30-70-48(38-19-11-8-12-20-38)54(68)60-28-26-40-32-42-22-16-24-44(58-50(64)36(2)56-4)52(66)62(42)46(40)34-60/h7-12,17-20,35-36,39-48,55-56H,15-16,21-34H2,1-4H3,(H,57,63)(H,58,64)/t35-,36-,39+,40+,41-,42-,43-,44-,45+,46+,47?,48?/m0/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50335210
(5-chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...)Show SMILES COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)c2Cl)[nH]n1 |r| Show InChI InChI=1S/C18H21ClFN9O2/c1-10(15-21-8-11(20)9-22-15)23-18-25-16(24-12-7-13(30-2)28-27-12)14(19)17(26-18)29-3-5-31-6-4-29/h7-10H,3-6H2,1-2H3,(H3,23,24,25,26,27,28)/t10-/m0/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 using Km ATP concentration |
J Med Chem 54: 262-76 (2011)
Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50388788
(CHEMBL2062566)Show SMILES CC(=O)Nc1ccc2CCN(c2c1)c1cc(NC2CC2)n2ncc(C#N)c2n1 Show InChI InChI=1S/C20H19N7O/c1-12(28)23-16-3-2-13-6-7-26(17(13)8-16)18-9-19(24-15-4-5-15)27-20(25-18)14(10-21)11-22-27/h2-3,8-9,11,15,24H,4-7H2,1H3,(H,23,28) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length N-terminus His-tagged human CK2alpha expressed in insect Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate after 20 ... |
ACS Med Chem Lett 3: 278-283 (2012)
Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50388805
(CHEMBL2062571)Show SMILES CC(=O)Nc1ccc2ccn(-c3cc(NC4COC4)n4ncc(C#N)c4n3)c2c1 Show InChI InChI=1S/C20H17N7O2/c1-12(28)23-15-3-2-13-4-5-26(17(13)6-15)18-7-19(24-16-10-29-11-16)27-20(25-18)14(8-21)9-22-27/h2-7,9,16,24H,10-11H2,1H3,(H,23,28) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of full length N-terminus His-tagged human CK2alpha expressed in insect Sf21 cells using BODIPY-FL-RRRDDDSDDD-CONH2 as substrate after 20 ... |
ACS Med Chem Lett 3: 278-283 (2012)
Article DOI: 10.1021/ml200257n
BindingDB Entry DOI: 10.7270/Q23N24GS |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50001129
(CHEMBL3236390)Show SMILES [H][C@]12C[C@@]3([H])CCN(C[C@@]3([H])N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)C(OCC#CC#CCOC(C(=O)N1CC[C@]2([H])C[C@]3([H])CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N3[C@]2([H])C1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C54H70N8O8/c1-35(55-3)49(63)57-43-23-15-21-41-31-39-25-27-59(33-45(39)61(41)51(43)65)53(67)47(37-17-9-7-10-18-37)69-29-13-5-6-14-30-70-48(38-19-11-8-12-20-38)54(68)60-28-26-40-32-42-22-16-24-44(58-50(64)36(2)56-4)52(66)62(42)46(40)34-60/h7-12,17-20,35-36,39-48,55-56H,15-16,21-34H2,1-4H3,(H,57,63)(H,58,64)/t35-,36-,39+,40+,41-,42-,43-,44-,45+,46+,47?,48?/m0/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of XIAP BIR3 domain (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem Lett 24: 1820-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.016
BindingDB Entry DOI: 10.7270/Q2416ZJ7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50335209
(5-fluoro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...)Show SMILES COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)c2F)[nH]n1 |r| Show InChI InChI=1S/C18H21F2N9O2/c1-10(15-21-8-11(19)9-22-15)23-18-25-16(24-12-7-13(30-2)28-27-12)14(20)17(26-18)29-3-5-31-6-4-29/h7-10H,3-6H2,1-2H3,(H3,23,24,25,26,27,28)/t10-/m0/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 using Km ATP concentration |
J Med Chem 54: 262-76 (2011)
Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-2
(Homo sapiens (Human)) | BDBM50387308
(CHEMBL2048866)Show SMILES N[C@@H]1CCCN(C1)c1c(Cl)cccc1C=C1SC(O)=NC1=O |r,w:14.15,c:20| Show InChI InChI=1S/C15H16ClN3O2S/c16-11-5-1-3-9(7-12-14(20)18-15(21)22-12)13(11)19-6-2-4-10(17)8-19/h1,3,5,7,10H,2,4,6,8,17H2,(H,18,20,21)/t10-/m1/s1 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human PIM2 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP |
Bioorg Med Chem Lett 22: 4599-604 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-2
(Homo sapiens (Human)) | BDBM50387295
(CHEMBL2048868)Show SMILES COc1cccc(C=C2SC(O)=NC2=O)c1N1CCC[C@@H](N)C1 |r,w:7.6,c:11| Show InChI InChI=1S/C16H19N3O3S/c1-22-12-6-2-4-10(8-13-15(20)18-16(21)23-13)14(12)19-7-3-5-11(17)9-19/h2,4,6,8,11H,3,5,7,9,17H2,1H3,(H,18,20,21)/t11-/m1/s1 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human PIM2 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP |
Bioorg Med Chem Lett 22: 4599-604 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-2
(Homo sapiens (Human)) | BDBM50387298
(CHEMBL2048872)Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccccc1 |r,w:9.9,c:14| Show InChI InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/t16-/m1/s1 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human PIM2 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP |
Bioorg Med Chem Lett 22: 4599-604 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.098
BindingDB Entry DOI: 10.7270/Q2348MDS |
More data for this
Ligand-Target Pair | |
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