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6 similar compounds to monomer 50206364

Compile data set for download or QSAR
Wt: 259.3
BDBM50206366
Wt: 191.2
BDBM50206370
Wt: 302.3
BDBM50206376
Wt: 283.3
BDBM50249068
Wt: 329.3
BDBM50248634
Wt: 343.4
BDBM50248635

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50206366,50206370,50206376,50249068,50248634,50248635   
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
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50206366
PNG
(CHEMBL3980103)
Show SMILES Oc1ccccc1CCCNCc1ccc(F)cc1
Show InChI InChI=1S/C16H18FNO/c17-15-9-7-13(8-10-15)12-18-11-3-5-14-4-1-2-6-16(14)19/h1-2,4,6-10,18-19H,3,5,11-12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 490n/an/an/an/an/an/a



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of MPO chlorination activity (unknown origin) assessed as taurine chloramine formation after 5 mins in presence of H2O2/Cl- by HTS method


Eur J Med Chem 123: 746-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.053
BindingDB Entry DOI: 10.7270/Q2FQ9ZMZ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50206370
PNG
(CHEMBL3938741)
Show SMILES Oc1ccccc1CC1CCCNC1
Show InChI InChI=1/C12H17NO/c14-12-6-2-1-5-11(12)8-10-4-3-7-13-9-10/h1-2,5-6,10,13-14H,3-4,7-9H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of MPO chlorination activity (unknown origin) assessed as taurine chloramine formation after 5 mins in presence of H2O2/Cl- by HTS method


Eur J Med Chem 123: 746-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.053
BindingDB Entry DOI: 10.7270/Q2FQ9ZMZ
More data for this
Ligand-Target Pair
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50206376
PNG
(CHEMBL3932693)
Show SMILES Fc1ccccc1CN1CCN(Cc2ccccc2F)CC1
Show InChI InChI=1S/C18H20F2N2/c19-17-7-3-1-5-15(17)13-21-9-11-22(12-10-21)14-16-6-2-4-8-18(16)20/h1-8H,9-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universit£ Libre de Bruxelles

Curated by ChEMBL


Assay Description
Inhibition of MPO chlorination activity (unknown origin) assessed as taurine chloramine formation after 5 mins in presence of H2O2/Cl- by HTS method


Eur J Med Chem 123: 746-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.053
BindingDB Entry DOI: 10.7270/Q2FQ9ZMZ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (Human))
BDBM50249068
PNG
(CHEMBL4100151)
Show SMILES COc1ccc2n(ncc2c1)-c1cncc(c1)C(C)(C)O
Show InChI InChI=1S/C16H17N3O2/c1-16(2,20)12-7-13(10-17-9-12)19-15-5-4-14(21-3)6-11(15)8-18-19/h4-10,20H,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...


Bioorg Med Chem Lett 27: 2384-2388 (2017)

More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM50248634
PNG
(CHEMBL4061783)
Show SMILES NC(=O)c1sc(Oc2ccccn2)c-2c1CCc1cnsc-21
Show InChI InChI=1S/C15H11N3O2S2/c16-14(19)13-9-5-4-8-7-18-22-12(8)11(9)15(21-13)20-10-3-1-2-6-17-10/h1-3,6-7H,4-5H2,(H2,16,19)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 25n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM50249068
PNG
(CHEMBL4100151)
Show SMILES COc1ccc2n(ncc2c1)-c1cncc(c1)C(C)(C)O
Show InChI InChI=1S/C16H17N3O2/c1-16(2,20)12-7-13(10-17-9-12)19-15-5-4-14(21-3)6-11(15)8-18-19/h4-10,20H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...


Bioorg Med Chem Lett 27: 2384-2388 (2017)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50248635
PNG
(CHEMBL4070408)
Show SMILES Cc1ncccc1Oc1sc(C(N)=O)c2CCc3cnsc3-c12
Show InChI InChI=1S/C16H13N3O2S2/c1-8-11(3-2-6-18-8)21-16-12-10(14(22-16)15(17)20)5-4-9-7-19-23-13(9)12/h2-3,6-7H,4-5H2,1H3,(H2,17,20)
PDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 2n/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK8 in human SW620 cells assessed as decrease in STAT1 phosphorylation at Ser727 after 2 hrs by Western blot method


Bioorg Med Chem 25: 2336-2350 (2017)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 8


(Homo sapiens (Human))
BDBM50248634
PNG
(CHEMBL4061783)
Show SMILES NC(=O)c1sc(Oc2ccccn2)c-2c1CCc1cnsc-21
Show InChI InChI=1S/C15H11N3O2S2/c16-14(19)13-9-5-4-8-7-18-22-12(8)11(9)15(21-13)20-10-3-1-2-6-17-10/h1-3,6-7H,4-5H2,(H2,16,19)
PDB

Reactome pathway
KEGG

B.MOAD
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PC sid
UniChem

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PubMed
n/an/an/an/a 66n/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK8 in human SW620 cells assessed as decrease in STAT1 phosphorylation at Ser727 after 2 hrs by Western blot method


Bioorg Med Chem 25: 2336-2350 (2017)

More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50248635
PNG
(CHEMBL4070408)
Show SMILES Cc1ncccc1Oc1sc(C(N)=O)c2CCc3cnsc3-c12
Show InChI InChI=1S/C16H13N3O2S2/c1-8-11(3-2-6-18-8)21-16-12-10(14(22-16)15(17)20)5-4-9-7-19-23-13(9)12/h2-3,6-7H,4-5H2,1H3,(H2,17,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.470n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)

More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50248634
PNG
(CHEMBL4061783)
Show SMILES NC(=O)c1sc(Oc2ccccn2)c-2c1CCc1cnsc-21
Show InChI InChI=1S/C15H11N3O2S2/c16-14(19)13-9-5-4-8-7-18-22-12(8)11(9)15(21-13)20-10-3-1-2-6-17-10/h1-3,6-7H,4-5H2,(H2,16,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK8/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)

More data for this
Ligand-Target Pair
CDK19/Cyclin C


(Homo sapiens (Human))
BDBM50248635
PNG
(CHEMBL4070408)
Show SMILES Cc1ncccc1Oc1sc(C(N)=O)c2CCc3cnsc3-c12
Show InChI InChI=1S/C16H13N3O2S2/c1-8-11(3-2-6-18-8)21-16-12-10(14(22-16)15(17)20)5-4-9-7-19-23-13(9)12/h2-3,6-7H,4-5H2,1H3,(H2,17,20)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.770n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of kinase tracer-236 binding to GST-tagged CDK19/CyclinC (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem 25: 2336-2350 (2017)

More data for this
Ligand-Target Pair