BindingDB logo
myBDB logout

5 similar compounds to monomer 50330734

Compile data set for download or QSAR
Wt: 366.8
BDBM50330722
Purchase
Wt: 384.7
BDBM50330733
Wt: 417.8
BDBM50330735
Wt: 332.3
BDBM50330688
Purchase
Wt: 349.3
BDBM50330692
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50330722,50330733,50330735,50330688,50330692   
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
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330722
PNG
(2-(2-chlorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C19H15ClN4O2/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20/h2-10,22H,11H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
165n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50330722
PNG
(2-(2-chlorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C19H15ClN4O2/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20/h2-10,22H,11H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
165n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330733
PNG
(2-(2-chloro-4-fluorophenyl)-4-methyl-5-(pyridin-2-...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccc(F)cc3Cl)c(=O)c12
Show InChI InChI=1S/C19H14ClFN4O2/c1-11-18-15(9-17(26)24(11)10-13-4-2-3-7-22-13)23-25(19(18)27)16-6-5-12(21)8-14(16)20/h2-9,23H,10H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
235n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330688
PNG
(4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazo...)
Show SMILES Cc1n(Cc2cccnc2)c(=O)cc2[nH]n(-c3ccccc3)c(=O)c12
Show InChI InChI=1S/C19H16N4O2/c1-13-18-16(21-23(19(18)25)15-7-3-2-4-8-15)10-17(24)22(13)12-14-6-5-9-20-11-14/h2-11,21H,12H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
373n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330735
PNG
(2-(7-chloroquinolin-4-yl)-4-methyl-5-(pyridin-2-yl...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccnc4cc(Cl)ccc34)c(=O)c12
Show InChI InChI=1S/C22H16ClN5O2/c1-13-21-18(11-20(29)27(13)12-15-4-2-3-8-24-15)26-28(22(21)30)19-7-9-25-17-10-14(23)5-6-16(17)19/h2-11,26H,12H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
458n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330692
PNG
(5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4...)
Show SMILES Cc1n(Cc2ccccc2)c(=O)cc2[nH]n(-c3ccc(F)cc3)c(=O)c12
Show InChI InChI=1S/C20H16FN3O2/c1-13-19-17(11-18(25)23(13)12-14-5-3-2-4-6-14)22-24(20(19)26)16-9-7-15(21)8-10-16/h2-11,22H,12H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
878n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50330722
PNG
(2-(2-chlorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C19H15ClN4O2/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20/h2-10,22H,11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.53E+3n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX2 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50330688
PNG
(4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazo...)
Show SMILES Cc1n(Cc2cccnc2)c(=O)cc2[nH]n(-c3ccccc3)c(=O)c12
Show InChI InChI=1S/C19H16N4O2/c1-13-18-16(21-23(19(18)25)15-7-3-2-4-8-15)10-17(24)22(13)12-14-6-5-9-20-11-14/h2-11,21H,12H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.72E+3n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX2 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50330722
PNG
(2-(2-chlorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C19H15ClN4O2/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20/h2-10,22H,11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>3.00E+4n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase by invitro enzymatic assay in presence of xanthine


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50330688
PNG
(4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazo...)
Show SMILES Cc1n(Cc2cccnc2)c(=O)cc2[nH]n(-c3ccccc3)c(=O)c12
Show InChI InChI=1S/C19H16N4O2/c1-13-18-16(21-23(19(18)25)15-7-3-2-4-8-15)10-17(24)22(13)12-14-6-5-9-20-11-14/h2-11,21H,12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>3.00E+4n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase by invitro enzymatic assay in presence of xanthine


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50330722
PNG
(2-(2-chlorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C19H15ClN4O2/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20/h2-10,22H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50330722
PNG
(2-(2-chlorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C19H15ClN4O2/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20/h2-10,22H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50330722
PNG
(2-(2-chlorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C19H15ClN4O2/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20/h2-10,22H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50330722
PNG
(2-(2-chlorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C19H15ClN4O2/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20/h2-10,22H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.09E+4n/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50330722
PNG
(2-(2-chlorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C19H15ClN4O2/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20/h2-10,22H,11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair