BindingDB logo
myBDB logout

5 similar compounds to monomer 50097128

Compile data set for download or QSAR
Wt: 283.7
BDBM50097129
Purchase
Wt: 369.4
BDBM50097121
Wt: 343.4
BDBM50097124
Wt: 327.4
BDBM50097132
Wt: 380.8
BDBM50097135

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50097129,50097121,50097124,50097132,50097135   
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
PAK1


(Homo sapiens (Human))
BDBM50097135
PNG
(CHEMBL3580974)
Show SMILES Clc1c(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)ccc2[nH]cnc12
Show InChI InChI=1S/C18H17ClN8/c19-16-11(3-4-12-17(16)23-9-22-12)8-21-18-20-6-5-14(25-18)24-15-7-13(26-27-15)10-1-2-10/h3-7,9-10H,1-2,8H2,(H,22,23)(H3,20,21,24,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
BindingDB Entry DOI: 10.7270/Q2DV1MN9
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097121
PNG
(CHEMBL3580954)
Show SMILES NC1CCN(CC1)c1nc(Nc2cc([nH]n2)C2CCC2)c2sccc2n1
Show InChI InChI=1S/C18H23N7S/c19-12-4-7-25(8-5-12)18-20-13-6-9-26-16(13)17(22-18)21-15-10-14(23-24-15)11-2-1-3-11/h6,9-12H,1-5,7-8,19H2,(H2,20,21,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
BindingDB Entry DOI: 10.7270/Q2DV1MN9
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097132
PNG
(CHEMBL3580962)
Show SMILES N[C@H]1CC[C@H](CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)CC1
Show InChI InChI=1S/C17H25N7/c18-13-5-1-11(2-6-13)10-20-17-19-8-7-15(22-17)21-16-9-14(23-24-16)12-3-4-12/h7-9,11-13H,1-6,10,18H2,(H3,19,20,21,22,23,24)/t11-,13-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
BindingDB Entry DOI: 10.7270/Q2DV1MN9
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097124
PNG
(CHEMBL3580951)
Show SMILES CCc1cc(Nc2nc(nc3ccsc23)N2CCC(N)CC2)n[nH]1
Show InChI InChI=1S/C16H21N7S/c1-2-11-9-13(22-21-11)19-15-14-12(5-8-24-14)18-16(20-15)23-6-3-10(17)4-7-23/h5,8-10H,2-4,6-7,17H2,1H3,(H2,18,19,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
33n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
BindingDB Entry DOI: 10.7270/Q2DV1MN9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097132
PNG
(CHEMBL3580962)
Show SMILES N[C@H]1CC[C@H](CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)CC1
Show InChI InChI=1S/C17H25N7/c18-13-5-1-11(2-6-13)10-20-17-19-8-7-15(22-17)21-16-9-14(23-24-16)12-3-4-12/h7-9,11-13H,1-6,10,18H2,(H3,19,20,21,22,23,24)/t11-,13-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
38n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
BindingDB Entry DOI: 10.7270/Q2DV1MN9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50097135
PNG
(CHEMBL3580974)
Show SMILES Clc1c(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)ccc2[nH]cnc12
Show InChI InChI=1S/C18H17ClN8/c19-16-11(3-4-12-17(16)23-9-22-12)8-21-18-20-6-5-14(25-18)24-15-7-13(26-27-15)10-1-2-10/h3-7,9-10H,1-2,8H2,(H,22,23)(H3,20,21,24,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
455n/an/an/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation...


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
BindingDB Entry DOI: 10.7270/Q2DV1MN9
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097132
PNG
(CHEMBL3580962)
Show SMILES N[C@H]1CC[C@H](CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)CC1
Show InChI InChI=1S/C17H25N7/c18-13-5-1-11(2-6-13)10-20-17-19-8-7-15(22-17)21-16-9-14(23-24-16)12-3-4-12/h7-9,11-13H,1-6,10,18H2,(H3,19,20,21,22,23,24)/t11-,13-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human EBC1 cells assessed as inhibition of MEK phosphorylation at S298 after 2 hrs by HTRF assay


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
BindingDB Entry DOI: 10.7270/Q2DV1MN9
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))
BDBM50097129
PNG
(CHEMBL153483 | N-(4-chlorophenethyl)quinazolin-4-a...)
Show SMILES Clc1ccc(CCNc2ncnc3ccccc23)cc1
Show InChI InChI=1S/C16H14ClN3/c17-13-7-5-12(6-8-13)9-10-18-16-14-3-1-2-4-15(14)19-11-20-16/h1-8,11H,9-10H2,(H,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of Huntingtin protein aggregation by cell based assay


Bioorg Med Chem Lett 19: 1715-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.087
BindingDB Entry DOI: 10.7270/Q2Q2403P
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50097135
PNG
(CHEMBL3580974)
Show SMILES Clc1c(CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)ccc2[nH]cnc12
Show InChI InChI=1S/C18H17ClN8/c19-16-11(3-4-12-17(16)23-9-22-12)8-21-18-20-6-5-14(25-18)24-15-7-13(26-27-15)10-1-2-10/h3-7,9-10H,1-2,8H2,(H,22,23)(H3,20,21,24,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 362n/an/an/an/an/an/a



Shanghai Chempartner Inc.

Curated by ChEMBL


Assay Description
Inhibition of PAK1 in human EBC1 cells assessed as inhibition of MEK phosphorylation at S298 after 2 hrs by HTRF assay


J Med Chem 58: 5121-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00572
BindingDB Entry DOI: 10.7270/Q2DV1MN9
More data for this
Ligand-Target Pair