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10 similar compounds to monomer 50237288

Compile data set for download or QSAR
Wt: 387.4
BDBM50237289
Wt: 222.2
BDBM50237292
Wt: 375.4
BDBM50237293
Wt: 388.4
BDBM50237294
Wt: 359.4
BDBM50237295
Wt: 395.3
BDBM50237285
Wt: 320.4
BDBM50237286
Wt: 329.8
BDBM50237287
Wt: 205.2
BDBM50237291
Wt: 295.2
BDBM50237274

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50237289,50237292,50237293,50237294,50237295,50237285,50237286,50237287,50237291,50237274   
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
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50237289
PNG
(CHEMBL4086119)
Show SMILES COCCNc1ccnc(NC(=O)c2csc(n2)-c2nncn2C(C)C)c1
Show InChI InChI=1S/C17H21N7O2S/c1-11(2)24-10-20-23-15(24)17-21-13(9-27-17)16(25)22-14-8-12(4-5-19-14)18-6-7-26-3/h4-5,8-11H,6-7H2,1-3H3,(H2,18,19,22,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of ASK1 (unknown origin) assessed as reduction in JNK phosphorylation by cell based assay


Bioorg Med Chem Lett 27: 1709-1713 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50237291
PNG
(CHEMBL4082079)
Show SMILES CCn1cnc(NC(=O)c2ccoc2)c1
Show InChI InChI=1S/C10H11N3O2/c1-2-13-5-9(11-7-13)12-10(14)8-3-4-15-6-8/h3-7H,2H2,1H3,(H,12,14)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.00E+5n/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of human Dipeptidylpeptidase IV.


Bioorg Med Chem Lett 27: 1709-1713 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50237292
PNG
(CHEMBL4062930)
Show SMILES CCn1cnc(NC(=O)c2cscn2)c1
Show InChI InChI=1S/C9H10N4OS/c1-2-13-3-8(10-5-13)12-9(14)7-4-15-6-11-7/h3-6H,2H2,1H3,(H,12,14)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of ASK1 (unknown origin) using biotin-MBP as substrate after 20 mins by TR-FRET assay


Bioorg Med Chem Lett 27: 1709-1713 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50237293
PNG
(CHEMBL4093878)
Show SMILES COCCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
Show InChI InChI=1S/C16H21N7O2S/c1-11(2)23-10-17-21-14(23)16-20-13(9-26-16)15(24)19-12-7-18-22(8-12)5-4-6-25-3/h7-11H,4-6H2,1-3H3,(H,19,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 65n/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of ASK1 (unknown origin) assessed as reduction in JNK phosphorylation by cell based assay


Bioorg Med Chem Lett 27: 1709-1713 (2017)

More data for this
Ligand-Target Pair
Adrenergic Alpha


(Homo sapiens (Human))
BDBM50237287
PNG
(CLOPERASTINE | Cloperastine | Cloperastine Fendizo...)
Show SMILES Clc1ccc(cc1)C(OCCN1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2
UniProtKB/SwissProt

GoogleScholar
DrugBank
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.49E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay


J Med Chem 60: 2685-2696 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50237295
PNG
(CHEMBL4081134)
Show SMILES CC(C)n1cnnc1-c1nc(cs1)C(=O)Nc1cnn(c1)C1COC1
Show InChI InChI=1S/C15H17N7O2S/c1-9(2)21-8-16-20-13(21)15-19-12(7-25-15)14(23)18-10-3-17-22(4-10)11-5-24-6-11/h3-4,7-9,11H,5-6H2,1-2H3,(H,18,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 130n/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of ASK1 (unknown origin) assessed as reduction in JNK phosphorylation by cell based assay


Bioorg Med Chem Lett 27: 1709-1713 (2017)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237274
PNG
(CHEMBL4060418)
Show SMILES CCn1c2ccccc2nc(-c2cccc(c2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C16H13N3O3/c1-2-18-14-9-4-3-8-13(14)17-15(16(18)20)11-6-5-7-12(10-11)19(21)22/h3-10H,2H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 65n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


J Med Chem 60: 2401-2410 (2017)

More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50237285
PNG
(CHEMBL4092001)
Show SMILES Fc1ccc2nc3n(Cc4ccccc4)c4ccc(cc4nc3c2c1)C(F)(F)F
Show InChI InChI=1S/C22H13F4N3/c23-15-7-8-17-16(11-15)20-21(28-17)29(12-13-4-2-1-3-5-13)19-9-6-14(22(24,25)26)10-18(19)27-20/h1-11H,12H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


J Med Chem 60: 2401-2410 (2017)

More data for this
Ligand-Target Pair
Adrenergic Alpha


(Homo sapiens (Human))
BDBM50237286
PNG
(Acamylophenine | Acamylophenine HCl | CAMYLOFIN | ...)
Show SMILES CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1
Show InChI InChI=1S/C19H32N2O2/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4/h7-11,16,18,20H,5-6,12-15H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.12E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay


J Med Chem 60: 2685-2696 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM50237294
PNG
(CHEMBL4064613)
Show SMILES COCCOc1ccnc(NC(=O)c2csc(n2)-c2nncn2C(C)C)c1
Show InChI InChI=1S/C17H20N6O3S/c1-11(2)23-10-19-22-15(23)17-20-13(9-27-17)16(24)21-14-8-12(4-5-18-14)26-7-6-25-3/h4-5,8-11H,6-7H2,1-3H3,(H,18,21,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 140n/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of ASK1 (unknown origin) assessed as reduction in JNK phosphorylation by cell based assay


Bioorg Med Chem Lett 27: 1709-1713 (2017)

More data for this
Ligand-Target Pair