Found 26 hits with Last Name = 'sambucini' and Initial = 's' 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 |
|---|
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM19428
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged HDAC3 |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50238632
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged HDAC4 |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19428
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged HDAC4 by Biomol assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19428
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged HDAC4 |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50238632
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
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 |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged HDAC4 by Biomol assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50238632
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged HDAC4 by pull-down assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19428
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of HDAC4 catalytic domain expressed in HEK293 cells by Biomol assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50238632
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1 | PDB
NCI pathway
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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged HDAC3 |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19428
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged HDAC4 expressed in HEK293 cells by Biomol assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19428
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged HDAC4 by pull-down assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50377931
(CHEMBL1791402)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](N)Cc1cn(OC)c2ccccc12)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CCCCCC(=O)CC)C(O)=O |r| Show InChI InChI=1S/C34H51N5O7/c1-5-22(3)30(37-31(41)26(35)20-23-21-39(46-4)28-17-11-10-15-25(23)28)33(43)38-19-13-12-18-29(38)32(42)36-27(34(44)45)16-9-7-8-14-24(40)6-2/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20,35H2,1-4H3,(H,36,42)(H,37,41)(H,44,45)/t22-,26+,27+,29-,30+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged HDAC4 by Biomol assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM50377931
(CHEMBL1791402)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](N)Cc1cn(OC)c2ccccc12)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CCCCCC(=O)CC)C(O)=O |r| Show InChI InChI=1S/C34H51N5O7/c1-5-22(3)30(37-31(41)26(35)20-23-21-39(46-4)28-17-11-10-15-25(23)28)33(43)38-19-13-12-18-29(38)32(42)36-27(34(44)45)16-9-7-8-14-24(40)6-2/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20,35H2,1-4H3,(H,36,42)(H,37,41)(H,44,45)/t22-,26+,27+,29-,30+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged HDAC4 by pull-down assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform delta
(Homo sapiens (Human)) | BDBM50260229
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |(4.64,-12.94,;3.3,-13.69,;3.28,-15.23,;1.93,-15.98,;.61,-15.19,;.63,-13.66,;1.97,-12.9,;-.73,-15.94,;-1.76,-14.8,;-3.17,-15.43,;-3.01,-16.96,;-1.5,-17.28,;-4.31,-17.78,;-5.67,-17.05,;-6.98,-17.86,;-6.92,-19.4,;-8.23,-20.22,;-5.55,-20.13,;-4.25,-19.31,;-4.5,-14.66,;-5.84,-15.44,;-7.18,-14.67,;-7.17,-13.12,;-5.84,-12.35,;-4.51,-13.11,)| Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25) | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description
Inhibition of human CKIdelta |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19410
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged HDAC4 by pull-down assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM50260228
(CHEMBL489344 | N-methyl-4-(2-(piperidin-4-yl)-5-(3...)Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C20H21F3N6/c1-24-19-26-10-7-15(27-19)17-16(13-3-2-4-14(11-13)20(21,22)23)28-18(29-17)12-5-8-25-9-6-12/h2-4,7,10-12,25H,5-6,8-9H2,1H3,(H,28,29)(H,24,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description
Inhibition of human CKIalpha |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM50260229
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |(4.64,-12.94,;3.3,-13.69,;3.28,-15.23,;1.93,-15.98,;.61,-15.19,;.63,-13.66,;1.97,-12.9,;-.73,-15.94,;-1.76,-14.8,;-3.17,-15.43,;-3.01,-16.96,;-1.5,-17.28,;-4.31,-17.78,;-5.67,-17.05,;-6.98,-17.86,;-6.92,-19.4,;-8.23,-20.22,;-5.55,-20.13,;-4.25,-19.31,;-4.5,-14.66,;-5.84,-15.44,;-7.18,-14.67,;-7.17,-13.12,;-5.84,-12.35,;-4.51,-13.11,)| Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description
Inhibition of human CKIalpha |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this
Ligand-Target Pair | |
Casein kinase I isoform delta
(Homo sapiens (Human)) | BDBM50260228
(CHEMBL489344 | N-methyl-4-(2-(piperidin-4-yl)-5-(3...)Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C20H21F3N6/c1-24-19-26-10-7-15(27-19)17-16(13-3-2-4-14(11-13)20(21,22)23)28-18(29-17)12-5-8-25-9-6-12/h2-4,7,10-12,25H,5-6,8-9H2,1H3,(H,28,29)(H,24,26,27) | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description
Inhibition of human CKIdelta |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this
Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19410
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged HDAC4 by Biomol assay |
Proc Natl Acad Sci USA 104: 17335-40 (2007)
Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50260229
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |(4.64,-12.94,;3.3,-13.69,;3.28,-15.23,;1.93,-15.98,;.61,-15.19,;.63,-13.66,;1.97,-12.9,;-.73,-15.94,;-1.76,-14.8,;-3.17,-15.43,;-3.01,-16.96,;-1.5,-17.28,;-4.31,-17.78,;-5.67,-17.05,;-6.98,-17.86,;-6.92,-19.4,;-8.23,-20.22,;-5.55,-20.13,;-4.25,-19.31,;-4.5,-14.66,;-5.84,-15.44,;-7.18,-14.67,;-7.17,-13.12,;-5.84,-12.35,;-4.51,-13.11,)| Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25) | 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 | 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description
Inhibition of human RSK2 |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this
Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM50260228
(CHEMBL489344 | N-methyl-4-(2-(piperidin-4-yl)-5-(3...)Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C20H21F3N6/c1-24-19-26-10-7-15(27-19)17-16(13-3-2-4-14(11-13)20(21,22)23)28-18(29-17)12-5-8-25-9-6-12/h2-4,7,10-12,25H,5-6,8-9H2,1H3,(H,28,29)(H,24,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description
Inhibition of human RSK2 |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50260229
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |(4.64,-12.94,;3.3,-13.69,;3.28,-15.23,;1.93,-15.98,;.61,-15.19,;.63,-13.66,;1.97,-12.9,;-.73,-15.94,;-1.76,-14.8,;-3.17,-15.43,;-3.01,-16.96,;-1.5,-17.28,;-4.31,-17.78,;-5.67,-17.05,;-6.98,-17.86,;-6.92,-19.4,;-8.23,-20.22,;-5.55,-20.13,;-4.25,-19.31,;-4.5,-14.66,;-5.84,-15.44,;-7.18,-14.67,;-7.17,-13.12,;-5.84,-12.35,;-4.51,-13.11,)| Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM50260228
(CHEMBL489344 | N-methyl-4-(2-(piperidin-4-yl)-5-(3...)Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C20H21F3N6/c1-24-19-26-10-7-15(27-19)17-16(13-3-2-4-14(11-13)20(21,22)23)28-18(29-17)12-5-8-25-9-6-12/h2-4,7,10-12,25H,5-6,8-9H2,1H3,(H,28,29)(H,24,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description
Inhibition of human CK2 |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50260229
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |(4.64,-12.94,;3.3,-13.69,;3.28,-15.23,;1.93,-15.98,;.61,-15.19,;.63,-13.66,;1.97,-12.9,;-.73,-15.94,;-1.76,-14.8,;-3.17,-15.43,;-3.01,-16.96,;-1.5,-17.28,;-4.31,-17.78,;-5.67,-17.05,;-6.98,-17.86,;-6.92,-19.4,;-8.23,-20.22,;-5.55,-20.13,;-4.25,-19.31,;-4.5,-14.66,;-5.84,-15.44,;-7.18,-14.67,;-7.17,-13.12,;-5.84,-12.35,;-4.51,-13.11,)| Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25) | PDB
MMDB
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 | 1.66E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description
Inhibition of human JNK2 |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50260229
(4-(4-(4-fluorophenyl)-2-(4-methylcyclohexyl)-1H-im...)Show SMILES CC1CCC(CC1)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 |(4.64,-12.94,;3.3,-13.69,;3.28,-15.23,;1.93,-15.98,;.61,-15.19,;.63,-13.66,;1.97,-12.9,;-.73,-15.94,;-1.76,-14.8,;-3.17,-15.43,;-3.01,-16.96,;-1.5,-17.28,;-4.31,-17.78,;-5.67,-17.05,;-6.98,-17.86,;-6.92,-19.4,;-8.23,-20.22,;-5.55,-20.13,;-4.25,-19.31,;-4.5,-14.66,;-5.84,-15.44,;-7.18,-14.67,;-7.17,-13.12,;-5.84,-12.35,;-4.51,-13.11,)| Show InChI InChI=1S/C21H22FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h6-14,17H,2-5H2,1H3,(H,24,25) | PDB
MMDB
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 | 1.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50260228
(CHEMBL489344 | N-methyl-4-(2-(piperidin-4-yl)-5-(3...)Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C20H21F3N6/c1-24-19-26-10-7-15(27-19)17-16(13-3-2-4-14(11-13)20(21,22)23)28-18(29-17)12-5-8-25-9-6-12/h2-4,7,10-12,25H,5-6,8-9H2,1H3,(H,28,29)(H,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.85E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50260228
(CHEMBL489344 | N-methyl-4-(2-(piperidin-4-yl)-5-(3...)Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1 Show InChI InChI=1S/C20H21F3N6/c1-24-19-26-10-7-15(27-19)17-16(13-3-2-4-14(11-13)20(21,22)23)28-18(29-17)12-5-8-25-9-6-12/h2-4,7,10-12,25H,5-6,8-9H2,1H3,(H,28,29)(H,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.04E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Ricerche di Biologia Molecolare "P. Angeletti
Curated by ChEMBL
| Assay Description
Inhibition of human JNK2 |
J Biol Chem 282: 5536-44 (2007)
Article DOI: 10.1074/jbc.M610486200
BindingDB Entry DOI: 10.7270/Q2M32VJH |
More data for this
Ligand-Target Pair | |
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