BindingDB logo
myBDB logout

6 similar compounds to monomer 50095769

Compile data set for download or QSAR
Wt: 247.2
BDBM50059656
Purchase
Wt: 684.7
BDBM50059659
Wt: 372.4
BDBM50059665
Wt: 473.4
BDBM50033482
Wt: 365.4
BDBM50059662
Wt: 439.5
BDBM50095768

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50059656,50059659,50059665,50033482,50059662,50095768   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095768
PNG
(CHEMBL3590463)
Show SMILES CCCCCCCc1cccc(CCCCCCC)[n+]1C
Show InChI InChI=1S/C20H36N.CHF3O3S/c1-4-6-8-10-12-15-19-17-14-18-20(21(19)3)16-13-11-9-7-5-2;2-1(3,4)8(5,6)7/h14,17-18H,4-13,15-16H2,1-3H3;(H,5,6,7)/q+1;/p-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.280n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human Kv11.1 expressed in HEK293 cell membranes by competitive radioligand displacement assay


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095768
PNG
(CHEMBL3590463)
Show SMILES CCCCCCCc1cccc(CCCCCCC)[n+]1C
Show InChI InChI=1S/C20H36N.CHF3O3S/c1-4-6-8-10-12-15-19-17-14-18-20(21(19)3)16-13-11-9-7-5-2;2-1(3,4)8(5,6)7/h14,17-18H,4-13,15-16H2,1-3H3;(H,5,6,7)/q+1;/p-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 0.440n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50059656
PNG
(CHEMBL3393601)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C15H9N3O/c19-18-14-10-6-2-1-5-9(10)13-15(14)17-12-8-4-3-7-11(12)16-13/h1-8,19H/b18-14-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 470n/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma (unknown origin) by KINOMEScan assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50059656
PNG
(CHEMBL3393601)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C15H9N3O/c19-18-14-10-6-2-1-5-9(10)13-15(14)17-12-8-4-3-7-11(12)16-13/h1-8,19H/b18-14-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 100n/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of human full-length GST-tagged JNK3 using [gamma33P]ATP assessed as phosphorylation of GST-ATF2


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50059656
PNG
(CHEMBL3393601)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C15H9N3O/c19-18-14-10-6-2-1-5-9(10)13-15(14)17-12-8-4-3-7-11(12)16-13/h1-8,19H/b18-14-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 920n/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of MKNK2 (unknown origin) by KINOMEScan assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059659
PNG
(CHEMBL3393604)
Show SMILES COc1ccc2OC(COc2c1)C(=O)NC(=O)N(CC(C)C)CC(=O)NCCCCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C37H44N6O7/c1-24(2)21-43(37(47)40-36(46)32-23-49-31-20-27(48-3)16-17-30(31)50-32)22-33(44)38-18-8-4-5-9-19-39-35(45)26-14-12-25(13-15-26)34-28-10-6-7-11-29(28)41-42-34/h6-7,10-17,20,24,32H,4-5,8-9,18-19,21-23H2,1-3H3,(H,38,44)(H,39,45)(H,41,42)(H,40,46,47)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 G2019S mutant (unknown origin)


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase 3


(Rattus norvegicus)
BDBM50059659
PNG
(CHEMBL3393604)
Show SMILES COc1ccc2OC(COc2c1)C(=O)NC(=O)N(CC(C)C)CC(=O)NCCCCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C37H44N6O7/c1-24(2)21-43(37(47)40-36(46)32-23-49-31-20-27(48-3)16-17-30(31)50-32)22-33(44)38-18-8-4-5-9-19-39-35(45)26-14-12-25(13-15-26)34-28-10-6-7-11-29(28)41-42-34/h6-7,10-17,20,24,32H,4-5,8-9,18-19,21-23H2,1-3H3,(H,38,44)(H,39,45)(H,41,42)(H,40,46,47)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3-mediated c-jun phosphorylation in rat INS1 cells


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50059659
PNG
(CHEMBL3393604)
Show SMILES COc1ccc2OC(COc2c1)C(=O)NC(=O)N(CC(C)C)CC(=O)NCCCCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C37H44N6O7/c1-24(2)21-43(37(47)40-36(46)32-23-49-31-20-27(48-3)16-17-30(31)50-32)22-33(44)38-18-8-4-5-9-19-39-35(45)26-14-12-25(13-15-26)34-28-10-6-7-11-29(28)41-42-34/h6-7,10-17,20,24,32H,4-5,8-9,18-19,21-23H2,1-3H3,(H,38,44)(H,39,45)(H,41,42)(H,40,46,47)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) by JIP-FP displacement assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50059659
PNG
(CHEMBL3393604)
Show SMILES COc1ccc2OC(COc2c1)C(=O)NC(=O)N(CC(C)C)CC(=O)NCCCCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C37H44N6O7/c1-24(2)21-43(37(47)40-36(46)32-23-49-31-20-27(48-3)16-17-30(31)50-32)22-33(44)38-18-8-4-5-9-19-39-35(45)26-14-12-25(13-15-26)34-28-10-6-7-11-29(28)41-42-34/h6-7,10-17,20,24,32H,4-5,8-9,18-19,21-23H2,1-3H3,(H,38,44)(H,39,45)(H,41,42)(H,40,46,47)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 109n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) by JIP-FP displacement assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50059656
PNG
(CHEMBL3393601)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C15H9N3O/c19-18-14-10-6-2-1-5-9(10)13-15(14)17-12-8-4-3-7-11(12)16-13/h1-8,19H/b18-14-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 360n/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin)


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50059656
PNG
(CHEMBL3393601)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C15H9N3O/c19-18-14-10-6-2-1-5-9(10)13-15(14)17-12-8-4-3-7-11(12)16-13/h1-8,19H/b18-14-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 240n/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin)


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50059659
PNG
(CHEMBL3393604)
Show SMILES COc1ccc2OC(COc2c1)C(=O)NC(=O)N(CC(C)C)CC(=O)NCCCCCCNC(=O)c1ccc(cc1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C37H44N6O7/c1-24(2)21-43(37(47)40-36(46)32-23-49-31-20-27(48-3)16-17-30(31)50-32)22-33(44)38-18-8-4-5-9-19-39-35(45)26-14-12-25(13-15-26)34-28-10-6-7-11-29(28)41-42-34/h6-7,10-17,20,24,32H,4-5,8-9,18-19,21-23H2,1-3H3,(H,38,44)(H,39,45)(H,41,42)(H,40,46,47)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 336n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) by JIP-FP displacement assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50059662
PNG
(CHEMBL3393596)
Show SMILES Cn1cc(cn1)-c1c[nH]c2ncc(cc12)[C@H]1CC[C@@H](CC1)N1CCOCC1
Show InChI InChI=1S/C21H27N5O/c1-25-14-17(12-24-25)20-13-23-21-19(20)10-16(11-22-21)15-2-4-18(5-3-15)26-6-8-27-9-7-26/h10-15,18H,2-9H2,1H3,(H,22,23)/t15-,18-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) by time-resolved fluorescence assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50059665
PNG
(CHEMBL3393600)
Show SMILES COc1ccc(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C22H20N4O2/c1-26-14-19(13-24-26)16-5-6-17-12-23-21(11-18(17)10-16)25-22(27)9-15-3-7-20(28-2)8-4-15/h3-8,10-14H,9H2,1-2H3,(H,23,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) by time-resolved fluorescence assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50059662
PNG
(CHEMBL3393596)
Show SMILES Cn1cc(cn1)-c1c[nH]c2ncc(cc12)[C@H]1CC[C@@H](CC1)N1CCOCC1
Show InChI InChI=1S/C21H27N5O/c1-25-14-17(12-24-25)20-13-23-21-19(20)10-16(11-22-21)15-2-4-18(5-3-15)26-6-8-27-9-7-26/h10-15,18H,2-9H2,1H3,(H,22,23)/t15-,18-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 123n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) by time-resolved fluorescence assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50059662
PNG
(CHEMBL3393596)
Show SMILES Cn1cc(cn1)-c1c[nH]c2ncc(cc12)[C@H]1CC[C@@H](CC1)N1CCOCC1
Show InChI InChI=1S/C21H27N5O/c1-25-14-17(12-24-25)20-13-23-21-19(20)10-16(11-22-21)15-2-4-18(5-3-15)26-6-8-27-9-7-26/h10-15,18H,2-9H2,1H3,(H,22,23)/t15-,18-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) by time-resolved fluorescence assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair
Myristoyl-CoA:protein N-myristoyltransferase (Nmt)


(Homo sapiens (Human))
BDBM50033482
PNG
(CHEMBL3357699)
Show SMILES Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(CCCCC2CCNCC2)cc1Cl
Show InChI InChI=1S/C21H30Cl2N4O2S/c1-14-20(15(2)27(3)25-14)26-30(28,29)21-18(22)12-17(13-19(21)23)7-5-4-6-16-8-10-24-11-9-16/h12-13,16,24,26H,4-11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human N-myristoyltransferase 1 assessed as transfer of [3H]-myristic acid to a biotinylated substrate peptide (GCGGSKVKPQPPQAK(biotin)-...


J Med Chem 57: 9855-69 (2014)


Article DOI: 10.1021/jm500809c
BindingDB Entry DOI: 10.7270/Q2ZC84G2
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50059656
PNG
(CHEMBL3393601)
Show SMILES O\N=C1\c2ccccc2-c2nc3ccccc3nc12
Show InChI InChI=1S/C15H9N3O/c19-18-14-10-6-2-1-5-9(10)13-15(14)17-12-8-4-3-7-11(12)16-13/h1-8,19H/b18-14-
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 380n/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of CK1delta (unknown origin) by KINOMEScan assay


J Med Chem 58: 72-95 (2015)


Article DOI: 10.1021/jm501212r
BindingDB Entry DOI: 10.7270/Q2JH3NVZ
More data for this
Ligand-Target Pair