Found 275 hits with Last Name = 'xu' and Initial = 'yj' 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 II subunit delta
(Homo sapiens (Human)) | BDBM50374977
(CHEMBL270849)Show InChI InChI=1S/C20H20ClN5/c21-16-4-2-5-17(14-16)24-20-23-8-7-19(25-20)15-3-1-6-18(13-15)26-11-9-22-10-12-26/h1-8,13-14,22H,9-12H2,(H,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of cloned CaMK2delta |
Bioorg Med Chem Lett 18: 2404-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Mus musculus) | BDBM50468557
(CHEMBL4294787)Show SMILES S=C(Nc1ccccc1)N1N=C(CC1c1ccc2OCCOc2c1)c1ccc(OCc2ccccc2)cc1 |c:11| Show InChI InChI=1S/C31H27N3O3S/c38-31(32-25-9-5-2-6-10-25)34-28(24-13-16-29-30(19-24)36-18-17-35-29)20-27(33-34)23-11-14-26(15-12-23)37-21-22-7-3-1-4-8-22/h1-16,19,28H,17-18,20-21H2,(H,32,38) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated... |
Eur J Med Chem 155: 725-735 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.043
BindingDB Entry DOI: 10.7270/Q2639SF8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50309525
(2-(5-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-6-m...)Show SMILES COc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C26H28FN3O4/c1-29(2)26(33)24(31)21-15-28-22-14-23(34-3)20(13-19(21)22)25(32)30-10-8-17(9-11-30)12-16-4-6-18(27)7-5-16/h4-7,13-15,17,28H,8-12H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as inhibition of gamma-32p-ATP incorporation into biotin peptide substrate after 60 mins by scintillation counter |
Bioorg Med Chem Lett 20: 2556-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.088
BindingDB Entry DOI: 10.7270/Q2VT1S84 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50309525
(2-(5-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-6-m...)Show SMILES COc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C26H28FN3O4/c1-29(2)26(33)24(31)21-15-28-22-14-23(34-3)20(13-19(21)22)25(32)30-10-8-17(9-11-30)12-16-4-6-18(27)7-5-16/h4-7,13-15,17,28H,8-12H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha after 60 mins |
Bioorg Med Chem Lett 20: 1059-62 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.031
BindingDB Entry DOI: 10.7270/Q2J38SP4 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50375063
(CHEMBL255607)Show SMILES NCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(Cl)cc23)c2ccccc12 |t:6| Show InChI InChI=1S/C22H17ClN4O2/c23-13-5-6-17-15(9-13)16(10-25-17)19-20(22(29)26-21(19)28)27-11-12(7-8-24)14-3-1-2-4-18(14)27/h1-6,9-11,25H,7-8,24H2,(H,26,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta |
Bioorg Med Chem Lett 18: 2399-403 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50374956
(CHEMBL272978)Show InChI InChI=1S/C18H18ClN5/c19-14-4-2-6-16(12-14)23-18-22-9-7-17(24-18)13-3-1-5-15(11-13)21-10-8-20/h1-7,9,11-12,21H,8,10,20H2,(H,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of cloned CaMK2delta |
Bioorg Med Chem Lett 18: 2404-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50375073
(CHEMBL402340)Show SMILES CNCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(Cl)cc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H19ClN4O2/c1-25-9-8-13-12-28(19-5-3-2-4-15(13)19)21-20(22(29)27-23(21)30)17-11-26-18-7-6-14(24)10-16(17)18/h2-7,10-12,25-26H,8-9H2,1H3,(H,27,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta |
Bioorg Med Chem Lett 18: 2399-403 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50309524
(2-(6-chloro-5-(4-(4-fluorobenzyl)piperidine-1-carb...)Show SMILES CN(C)C(=O)C(=O)c1c[nH]c2cc(Cl)c(cc12)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H25ClFN3O3/c1-29(2)25(33)23(31)20-14-28-22-13-21(26)19(12-18(20)22)24(32)30-9-7-16(8-10-30)11-15-3-5-17(27)6-4-15/h3-6,12-14,16,28H,7-11H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha after 60 mins |
Bioorg Med Chem Lett 20: 1059-62 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.031
BindingDB Entry DOI: 10.7270/Q2J38SP4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50132378
(((1S,3R)-4-Benzyl-2,5-dimethyl-piperazin-1-yl)-(6-...)Show SMILES COc1cc2[nH]ccc2cc1C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C |r| Show InChI InChI=1S/C23H27N3O2/c1-16-14-26(17(2)13-25(16)15-18-7-5-4-6-8-18)23(27)20-11-19-9-10-24-21(19)12-22(20)28-3/h4-12,16-17,24H,13-15H2,1-3H3/t16-,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 13: 3087-90 (2003)
BindingDB Entry DOI: 10.7270/Q2S181XN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50132378
(((1S,3R)-4-Benzyl-2,5-dimethyl-piperazin-1-yl)-(6-...)Show SMILES COc1cc2[nH]ccc2cc1C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C |r| Show InChI InChI=1S/C23H27N3O2/c1-16-14-26(17(2)13-25(16)15-18-7-5-4-6-8-18)23(27)20-11-19-9-10-24-21(19)12-22(20)28-3/h4-12,16-17,24H,13-15H2,1-3H3/t16-,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 13: 3087-90 (2003)
BindingDB Entry DOI: 10.7270/Q2S181XN |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50375061
(CHEMBL271648)Show SMILES CNCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(cc23)C(=O)OC)c2ccccc12 |t:7| Show InChI InChI=1S/C25H22N4O4/c1-26-10-9-15-13-29(20-6-4-3-5-16(15)20)22-21(23(30)28-24(22)31)18-12-27-19-8-7-14(11-17(18)19)25(32)33-2/h3-8,11-13,26-27H,9-10H2,1-2H3,(H,28,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta |
Bioorg Med Chem Lett 18: 2399-403 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Mus musculus) | BDBM50396483
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated... |
Eur J Med Chem 155: 725-735 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.043
BindingDB Entry DOI: 10.7270/Q2639SF8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50375062
(CHEMBL402533)Show SMILES NCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(cc23)C(F)(F)F)c2ccccc12 |t:6| Show InChI InChI=1S/C23H17F3N4O2/c24-23(25,26)13-5-6-17-15(9-13)16(10-28-17)19-20(22(32)29-21(19)31)30-11-12(7-8-27)14-3-1-2-4-18(14)30/h1-6,9-11,28H,7-8,27H2,(H,29,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta |
Bioorg Med Chem Lett 18: 2399-403 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50374982
(CHEMBL403446)Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(Br)cc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H19BrN4O2/c24-13-6-7-18-15(10-13)16(11-26-18)20-21(23(30)27-22(20)29)17-12-28(9-3-8-25)19-5-2-1-4-14(17)19/h1-2,4-7,10-12,26H,3,8-9,25H2,(H,27,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta |
Bioorg Med Chem Lett 18: 2390-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.059
BindingDB Entry DOI: 10.7270/Q27W6D2W |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50374982
(CHEMBL403446)Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(Br)cc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H19BrN4O2/c24-13-6-7-18-15(10-13)16(11-26-18)20-21(23(30)27-22(20)29)17-12-28(9-3-8-25)19-5-2-1-4-14(17)19/h1-2,4-7,10-12,26H,3,8-9,25H2,(H,27,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta |
Bioorg Med Chem Lett 18: 2395-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.058
BindingDB Entry DOI: 10.7270/Q2QZ2BVW |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50375072
(CHEMBL403337)Show SMILES NCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(F)cc23)c2ccccc12 |t:6| Show InChI InChI=1S/C22H17FN4O2/c23-13-5-6-17-15(9-13)16(10-25-17)19-20(22(29)26-21(19)28)27-11-12(7-8-24)14-3-1-2-4-18(14)27/h1-6,9-11,25H,7-8,24H2,(H,26,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta |
Bioorg Med Chem Lett 18: 2399-403 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50374954
(CHEMBL271045)Show InChI InChI=1S/C17H12ClN3O2/c18-13-2-1-3-14(10-13)20-17-19-9-8-15(21-17)11-4-6-12(7-5-11)16(22)23/h1-10H,(H,22,23)(H,19,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of cloned CaMK2delta |
Bioorg Med Chem Lett 18: 2404-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50375071
(CHEMBL270032)Show SMILES NCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(cc23)C#N)c2ccccc12 |t:6| Show InChI InChI=1S/C23H17N5O2/c24-8-7-14-12-28(19-4-2-1-3-15(14)19)21-20(22(29)27-23(21)30)17-11-26-18-6-5-13(10-25)9-16(17)18/h1-6,9,11-12,26H,7-8,24H2,(H,27,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta |
Bioorg Med Chem Lett 18: 2399-403 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Mus musculus) | BDBM50468570
(CHEMBL4290513)Show SMILES Brc1ccc(cc1)C1=NN(C(C1)c1ccc2OCCOc2c1)C(=S)Nc1ccccc1 |t:8| Show InChI InChI=1S/C24H20BrN3O2S/c25-18-9-6-16(7-10-18)20-15-21(17-8-11-22-23(14-17)30-13-12-29-22)28(27-20)24(31)26-19-4-2-1-3-5-19/h1-11,14,21H,12-13,15H2,(H,26,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated... |
Eur J Med Chem 155: 725-735 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.043
BindingDB Entry DOI: 10.7270/Q2639SF8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50309531
(2-(5-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-6-m...)Show SMILES COc1nc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H27FN4O4/c1-29(2)25(33)21(31)20-14-27-22-18(20)13-19(23(28-22)34-3)24(32)30-10-8-16(9-11-30)12-15-4-6-17(26)7-5-15/h4-7,13-14,16H,8-12H2,1-3H3,(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha after 60 mins |
Bioorg Med Chem Lett 20: 1059-62 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.031
BindingDB Entry DOI: 10.7270/Q2J38SP4 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Mus musculus) | BDBM50468565
(CHEMBL4277125)Show SMILES COc1cccc(c1)C1=NN(C(C1)c1ccc2OCCOc2c1)C(=S)Nc1ccccc1 |t:9| Show InChI InChI=1S/C25H23N3O3S/c1-29-20-9-5-6-17(14-20)21-16-22(18-10-11-23-24(15-18)31-13-12-30-23)28(27-21)25(32)26-19-7-3-2-4-8-19/h2-11,14-15,22H,12-13,16H2,1H3,(H,26,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated... |
Eur J Med Chem 155: 725-735 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.043
BindingDB Entry DOI: 10.7270/Q2639SF8 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50374963
(CHEMBL402428)Show InChI InChI=1S/C17H13N3O2/c21-16(22)13-8-6-12(7-9-13)15-10-11-18-17(20-15)19-14-4-2-1-3-5-14/h1-11H,(H,21,22)(H,18,19,20) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of cloned CaMK2delta |
Bioorg Med Chem Lett 18: 2404-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50374965
(CHEMBL255617)Show InChI InChI=1S/C16H13N5O2/c17-14-9-12(5-7-18-14)20-16-19-8-6-13(21-16)10-1-3-11(4-2-10)15(22)23/h1-9H,(H,22,23)(H3,17,18,19,20,21) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of cloned CaMK2delta |
Bioorg Med Chem Lett 18: 2404-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6 |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50175932
(1,3-bis-[4-(5,6-dimethyl-1H-benzoimidazol-2-yl)phe...)Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(NC(=O)Nc2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)cc1 Show InChI InChI=1S/C31H28N6O/c1-17-13-25-26(14-18(17)2)35-29(34-25)21-5-9-23(10-6-21)32-31(38)33-24-11-7-22(8-12-24)30-36-27-15-19(3)20(4)16-28(27)37-30/h5-16H,1-4H3,(H,34,35)(H,36,37)(H2,32,33,38) | PDB
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UniChem
Similars
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| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
ImClone Systems Inc
Curated by ChEMBL
| Assay Description
Inhibitory activity against heparanase from human platelets |
Bioorg Med Chem Lett 16: 409-12 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.069
BindingDB Entry DOI: 10.7270/Q2ST7PDB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50309529
(2-(3-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-2-m...)Show SMILES CN(C)C(=O)C(=O)c1ccc2[nH]c(C)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1 Show InChI InChI=1S/C26H28FN3O3/c1-16-23(21-15-19(6-9-22(21)28-16)24(31)26(33)29(2)3)25(32)30-12-10-18(11-13-30)14-17-4-7-20(27)8-5-17/h4-9,15,18,28H,10-14H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha after 60 mins |
Bioorg Med Chem Lett 20: 1059-62 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.031
BindingDB Entry DOI: 10.7270/Q2J38SP4 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50309528
(2-(6-chloro-5-(4-(4-fluorobenzyl)piperidine-1-carb...)Show SMILES CN(C)C(=O)C(=O)c1nn(C)c2cc(Cl)c(cc12)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H26ClFN4O3/c1-29(2)25(34)23(32)22-19-13-18(20(26)14-21(19)30(3)28-22)24(33)31-10-8-16(9-11-31)12-15-4-6-17(27)7-5-15/h4-7,13-14,16H,8-12H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc
Curated by ChEMBL
| Assay Description
Inhibition of human p38alpha after 60 mins |
Bioorg Med Chem Lett 20: 1059-62 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.031
BindingDB Entry DOI: 10.7270/Q2J38SP4 |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50375077
(CHEMBL430412)Show SMILES NCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:6| Show InChI InChI=1S/C22H18N4O2/c23-10-9-13-12-26(18-8-4-2-5-14(13)18)20-19(21(27)25-22(20)28)16-11-24-17-7-3-1-6-15(16)17/h1-8,11-12,24H,9-10,23H2,(H,25,27,28) | PDB
UniProtKB/SwissProt
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta |
Bioorg Med Chem Lett 18: 2399-403 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50374956
(CHEMBL272978)Show InChI InChI=1S/C18H18ClN5/c19-14-4-2-6-16(12-14)23-18-22-9-7-17(24-18)13-3-1-5-15(11-13)21-10-8-20/h1-7,9,11-12,21H,8,10,20H2,(H,22,23,24) | PDB
UniProtKB/SwissProt
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta-mediated vimentin phosphorylation in human HL2 cells after 1 hr by ELISA |
Bioorg Med Chem Lett 18: 2404-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM15240
(4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...)Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as inhibition of gamma-32p-ATP incorporation into biotin peptide substrate after 60 mins by scintillation counter |
Bioorg Med Chem Lett 20: 2556-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.088
BindingDB Entry DOI: 10.7270/Q2VT1S84 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50375070
(CHEMBL411724)Show SMILES CCc1ccc2[nH]cc(C3=C(C(=O)NC3=O)n3cc(CCNC)c4ccccc34)c2c1 |t:9| Show InChI InChI=1S/C25H24N4O2/c1-3-15-8-9-20-18(12-15)19(13-27-20)22-23(25(31)28-24(22)30)29-14-16(10-11-26-2)17-6-4-5-7-21(17)29/h4-9,12-14,26-27H,3,10-11H2,1-2H3,(H,28,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta |
Bioorg Med Chem Lett 18: 2399-403 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50175938
(1,3-bis(4-(7-methyl-1H-benzo[d]imidazol-2-yl)pheny...)Show SMILES Cc1cccc2[nH]c(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)-c2nc3c(C)cccc3[nH]2)cc1 Show InChI InChI=1S/C29H24N6O/c1-17-5-3-7-23-25(17)34-27(32-23)19-9-13-21(14-10-19)30-29(36)31-22-15-11-20(12-16-22)28-33-24-8-4-6-18(2)26(24)35-28/h3-16H,1-2H3,(H,32,34)(H,33,35)(H2,30,31,36) | PDB
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PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
ImClone Systems Inc
Curated by ChEMBL
| Assay Description
Inhibitory activity against heparanase from human platelets |
Bioorg Med Chem Lett 16: 409-12 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.069
BindingDB Entry DOI: 10.7270/Q2ST7PDB |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50375064
(CHEMBL402152)Show SMILES CNCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H20N4O2/c1-24-11-10-14-13-27(19-9-5-3-6-15(14)19)21-20(22(28)26-23(21)29)17-12-25-18-8-4-2-7-16(17)18/h2-9,12-13,24-25H,10-11H2,1H3,(H,26,28,29) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta |
Bioorg Med Chem Lett 18: 2399-403 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50175931
(1-(4-(1H-benzo[d]imidazol-2-yl)phenyl)-3-(4-(7-met...)Show SMILES Cc1cccc2[nH]c(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)-c2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C28H22N6O/c1-17-5-4-8-24-25(17)34-27(33-24)19-11-15-21(16-12-19)30-28(35)29-20-13-9-18(10-14-20)26-31-22-6-2-3-7-23(22)32-26/h2-16H,1H3,(H,31,32)(H,33,34)(H2,29,30,35) | PDB
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UniChem
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PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
ImClone Systems Inc
Curated by ChEMBL
| Assay Description
Inhibitory activity against heparanase from human platelets |
Bioorg Med Chem Lett 16: 409-12 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.069
BindingDB Entry DOI: 10.7270/Q2ST7PDB |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50175936
(1,3-bis(4-(6-methyl-1H-benzo[d]imidazol-2-yl)pheny...)Show SMILES Cc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)Nc2ccc(cc2)-c2nc3ccc(C)cc3[nH]2)cc1 Show InChI InChI=1S/C29H24N6O/c1-17-3-13-23-25(15-17)34-27(32-23)19-5-9-21(10-6-19)30-29(36)31-22-11-7-20(8-12-22)28-33-24-14-4-18(2)16-26(24)35-28/h3-16H,1-2H3,(H,32,34)(H,33,35)(H2,30,31,36) | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
ImClone Systems Inc
Curated by ChEMBL
| Assay Description
Inhibitory activity against heparanase from human platelets |
Bioorg Med Chem Lett 16: 409-12 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.069
BindingDB Entry DOI: 10.7270/Q2ST7PDB |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50375069
(CHEMBL271426)Show SMILES COc1ccc2[nH]cc(C3=C(C(=O)NC3=O)n3cc(CCN)c4ccccc34)c2c1 |t:9| Show InChI InChI=1S/C23H20N4O3/c1-30-14-6-7-18-16(10-14)17(11-25-18)20-21(23(29)26-22(20)28)27-12-13(8-9-24)15-4-2-3-5-19(15)27/h2-7,10-12,25H,8-9,24H2,1H3,(H,26,28,29) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta |
Bioorg Med Chem Lett 18: 2399-403 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50374966
(CHEMBL402524)Show SMILES C[C@H](Nc1cc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NO)ccn1)c1ccccc1 Show InChI InChI=1S/C24H22N6O2/c1-16(17-5-3-2-4-6-17)27-22-15-20(11-13-25-22)28-24-26-14-12-21(29-24)18-7-9-19(10-8-18)23(31)30-32/h2-16,32H,1H3,(H,30,31)(H2,25,26,27,28,29)/t16-/m0/s1 | PDB
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UniChem
Similars
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PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of cloned CaMK2delta |
Bioorg Med Chem Lett 18: 2404-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50396483
(PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) | PDB
MMDB
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PC cid
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length GST-tagged wild type BRAF expressed in baculovirus expression system using recombinant human full length ... |
Eur J Med Chem 155: 725-735 (2018)
Article DOI: 10.1016/j.ejmech.2018.06.043
BindingDB Entry DOI: 10.7270/Q2639SF8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50374989
(CHEMBL412302)Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2cccc(Br)c2)c2ccccc12 |t:7| Show InChI InChI=1S/C21H18BrN3O2/c22-14-6-3-5-13(11-14)18-19(21(27)24-20(18)26)16-12-25(10-4-9-23)17-8-2-1-7-15(16)17/h1-3,5-8,11-12H,4,9-10,23H2,(H,24,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta |
Bioorg Med Chem Lett 18: 2390-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.059
BindingDB Entry DOI: 10.7270/Q27W6D2W |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50374989
(CHEMBL412302)Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2cccc(Br)c2)c2ccccc12 |t:7| Show InChI InChI=1S/C21H18BrN3O2/c22-14-6-3-5-13(11-14)18-19(21(27)24-20(18)26)16-12-25(10-4-9-23)17-8-2-1-7-15(16)17/h1-3,5-8,11-12H,4,9-10,23H2,(H,24,26,27) | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta |
Bioorg Med Chem Lett 18: 2395-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.058
BindingDB Entry DOI: 10.7270/Q2QZ2BVW |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50375080
(CHEMBL270141)Show SMILES NCCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H20N4O2/c24-11-5-6-14-13-27(19-10-4-2-7-15(14)19)21-20(22(28)26-23(21)29)17-12-25-18-9-3-1-8-16(17)18/h1-4,7-10,12-13,25H,5-6,11,24H2,(H,26,28,29) | PDB
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta |
Bioorg Med Chem Lett 18: 2399-403 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50375067
(CHEMBL271043)Show SMILES CNCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(cc23)C(N)=O)c2ccccc12 |t:7| Show InChI InChI=1S/C24H21N5O3/c1-26-9-8-14-12-29(19-5-3-2-4-15(14)19)21-20(23(31)28-24(21)32)17-11-27-18-7-6-13(22(25)30)10-16(17)18/h2-7,10-12,26-27H,8-9H2,1H3,(H2,25,30)(H,28,31,32) | PDB
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta |
Bioorg Med Chem Lett 18: 2399-403 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50374972
(CHEMBL403766)Show SMILES C[C@H](Nc1cc(Nc2nccc(n2)-c2ccc(cc2)C(O)=O)ccn1)c1ccccc1 Show InChI InChI=1S/C24H21N5O2/c1-16(17-5-3-2-4-6-17)27-22-15-20(11-13-25-22)28-24-26-14-12-21(29-24)18-7-9-19(10-8-18)23(30)31/h2-16H,1H3,(H,30,31)(H2,25,26,27,28,29)/t16-/m0/s1 | PDB
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| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of cloned CaMK2delta |
Bioorg Med Chem Lett 18: 2404-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6 |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50175811
(CHEMBL200215 | N-(4-{[4-(1H-benzoimidazol-2-yl)phe...)Show SMILES COc1ccc(cc1Br)C(=O)Nc1ccc(CNc2ccc(cc2)-c2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C28H23BrN4O2/c1-35-26-15-10-20(16-23(26)29)28(34)31-22-11-6-18(7-12-22)17-30-21-13-8-19(9-14-21)27-32-24-4-2-3-5-25(24)33-27/h2-16,30H,17H2,1H3,(H,31,34)(H,32,33) | PDB
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| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
ImClone Systems Inc
Curated by ChEMBL
| Assay Description
Inhibitory activity against heparanase from human platelets |
Bioorg Med Chem Lett 16: 404-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.070
BindingDB Entry DOI: 10.7270/Q2FJ2G9R |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50374997
(CHEMBL256827)Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2ccccc2)c2ccccc12 |t:7| Show InChI InChI=1S/C21H19N3O2/c22-11-6-12-24-13-16(15-9-4-5-10-17(15)24)19-18(20(25)23-21(19)26)14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12,22H2,(H,23,25,26) | PDB
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| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta using 3 weeks old stock solution of compound |
Bioorg Med Chem Lett 18: 2399-403 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50374952
(CHEMBL403054)Show InChI InChI=1S/C20H19ClN4O/c21-16-4-2-5-17(14-16)23-20-22-8-7-19(24-20)15-3-1-6-18(13-15)25-9-11-26-12-10-25/h1-8,13-14H,9-12H2,(H,22,23,24) | PDB
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| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of cloned CaMK2delta |
Bioorg Med Chem Lett 18: 2404-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6 |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50175939
(1,3-bis-[4-(1H-benzoimidazol-2-yl)phenyl]urea | CH...)Show SMILES O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)Nc1ccc(cc1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C27H20N6O/c34-27(28-19-13-9-17(10-14-19)25-30-21-5-1-2-6-22(21)31-25)29-20-15-11-18(12-16-20)26-32-23-7-3-4-8-24(23)33-26/h1-16H,(H,30,31)(H,32,33)(H2,28,29,34) | PDB
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| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
ImClone Systems Inc
Curated by ChEMBL
| Assay Description
Inhibitory activity against heparanase from human platelets |
Bioorg Med Chem Lett 16: 409-12 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.069
BindingDB Entry DOI: 10.7270/Q2ST7PDB |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50375066
(CHEMBL256460)Show SMILES CNCCc1cn(C2=C(C(=O)NC2=O)c2c[nH]c3ccc(cc23)C(=O)NC)c2ccccc12 |t:7| Show InChI InChI=1S/C25H23N5O3/c1-26-10-9-15-13-30(20-6-4-3-5-16(15)20)22-21(24(32)29-25(22)33)18-12-28-19-8-7-14(11-17(18)19)23(31)27-2/h3-8,11-13,26,28H,9-10H2,1-2H3,(H,27,31)(H,29,32,33) | PDB
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta |
Bioorg Med Chem Lett 18: 2399-403 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.057
BindingDB Entry DOI: 10.7270/Q2M61M4W |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50374988
(CHEMBL408434)Show SMILES Cc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(CCCN)c2ccccc12 |t:8| Show InChI InChI=1S/C22H21N3O2/c1-14-6-4-7-15(12-14)19-20(22(27)24-21(19)26)17-13-25(11-5-10-23)18-9-3-2-8-16(17)18/h2-4,6-9,12-13H,5,10-11,23H2,1H3,(H,24,26,27) | PDB
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CaMK2delta |
Bioorg Med Chem Lett 18: 2390-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.059
BindingDB Entry DOI: 10.7270/Q27W6D2W |
More data for this
Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50175813
(CHEMBL200831 | N-(4-{[5-(1H-benzoimidazol-2-yl)-py...)Show SMILES COc1ccc(cc1Br)C(=O)Nc1ccc(CNc2ccc(cn2)-c2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C27H22BrN5O2/c1-35-24-12-8-18(14-21(24)28)27(34)31-20-10-6-17(7-11-20)15-29-25-13-9-19(16-30-25)26-32-22-4-2-3-5-23(22)33-26/h2-14,16H,15H2,1H3,(H,29,30)(H,31,34)(H,32,33) | PDB
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| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
ImClone Systems Inc
Curated by ChEMBL
| Assay Description
Inhibitory activity against heparanase from human platelets |
Bioorg Med Chem Lett 16: 404-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.070
BindingDB Entry DOI: 10.7270/Q2FJ2G9R |
More data for this
Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit delta
(Homo sapiens (Human)) | BDBM50374960
(CHEMBL255633)Show InChI InChI=1S/C17H14N4O2/c22-16(21-23)13-8-6-12(7-9-13)15-10-11-18-17(20-15)19-14-4-2-1-3-5-14/h1-11,23H,(H,21,22)(H,18,19,20) | PDB
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| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Scios, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of cloned CaMK2delta |
Bioorg Med Chem Lett 18: 2404-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.02.056
BindingDB Entry DOI: 10.7270/Q2CN74S6 |
More data for this
Ligand-Target Pair | |
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