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3 similar compounds to monomer 50075944

Compile data set for download or QSAR
Wt: 418.5
BDBM50075943
Wt: 327.7
BDBM50075950
Wt: 309.7
BDBM50075957

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50075943,50075950,50075957   
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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50075943
PNG
(CHEMBL3415607)
Show SMILES CC(C)c1cccc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)n1
Show InChI InChI=1S/C19H26N6O3S/c1-11(2)14-4-3-5-17(24-14)25-15-8-12(9-22-18(15)19(21)26)23-16-10-29(27,28)7-6-13(16)20/h3-5,8-9,11,13,16,23H,6-7,10,20H2,1-2H3,(H2,21,26)(H,24,25)/t13-,16+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed by peptide substrate/ATP addition measured after 45 mins by TR-FRET ...


J Med Chem 58: 1929-39 (2015)


Article DOI: 10.1021/jm5018169
BindingDB Entry DOI: 10.7270/Q2028T7D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075950
PNG
(CHEMBL3415820)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C13H13ClFN.C2H2O4/c1-4-7-16(3)9-10(2)11-5-6-13(15)12(14)8-11;3-1(4)2(5)6/h1,5-6,8H,2,7,9H2,3H3;(H,3,4)(H,5,6)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50075957
PNG
(CHEMBL3415792)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(Cl)c1
Show InChI InChI=1S/C13H14ClN.C2H2O4/c1-4-8-15(3)10-11(2)12-6-5-7-13(14)9-12;3-1(4)2(5)6/h1,5-7,9H,2,8,10H2,3H3;(H,3,4)(H,5,6)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 83n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in Sf9 cells using 5-phenylacetaldehyde substrate assessed as hydrogen peroxide production after 1 hr...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50075950
PNG
(CHEMBL3415820)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C13H13ClFN.C2H2O4/c1-4-7-16(3)9-10(2)11-5-6-13(15)12(14)8-11;3-1(4)2(5)6/h1,5-6,8H,2,7,9H2,3H3;(H,3,4)(H,5,6)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

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



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in Sf9 cells using 5-phenylacetaldehyde substrate assessed as hydrogen peroxide production after 1 hr...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50075957
PNG
(CHEMBL3415792)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(Cl)c1
Show InChI InChI=1S/C13H14ClN.C2H2O4/c1-4-8-15(3)10-11(2)12-6-5-7-13(14)9-12;3-1(4)2(5)6/h1,5-7,9H,2,8,10H2,3H3;(H,3,4)(H,5,6)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075950
PNG
(CHEMBL3415820)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C13H13ClFN.C2H2O4/c1-4-7-16(3)9-10(2)11-5-6-13(15)12(14)8-11;3-1(4)2(5)6/h1,5-6,8H,2,7,9H2,3H3;(H,3,4)(H,5,6)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50075957
PNG
(CHEMBL3415792)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(Cl)c1
Show InChI InChI=1S/C13H14ClN.C2H2O4/c1-4-8-15(3)10-11(2)12-6-5-7-13(14)9-12;3-1(4)2(5)6/h1,5-7,9H,2,8,10H2,3H3;(H,3,4)(H,5,6)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50075957
PNG
(CHEMBL3415792)
Show SMILES C[NH+](CC#C)CC(=C)c1cccc(Cl)c1
Show InChI InChI=1S/C13H14ClN.C2H2O4/c1-4-8-15(3)10-11(2)12-6-5-7-13(14)9-12;3-1(4)2(5)6/h1,5-7,9H,2,8,10H2,3H3;(H,3,4)(H,5,6)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B in nuclei-free homogenates using [14C]phenylacetaldehyde substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50075950
PNG
(CHEMBL3415820)
Show SMILES C[NH+](CC#C)CC(=C)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C13H13ClFN.C2H2O4/c1-4-7-16(3)9-10(2)11-5-6-13(15)12(14)8-11;3-1(4)2(5)6/h1,5-6,8H,2,7,9H2,3H3;(H,3,4)(H,5,6)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



A* STAR (Agency of Science, Technology and Research)

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B in nuclei-free homogenates using [14C]phenylacetaldehyde substrate after 20 mins by liquid scintillation counting


J Med Chem 58: 1400-19 (2015)


Article DOI: 10.1021/jm501722s
BindingDB Entry DOI: 10.7270/Q2V989R3
More data for this
Ligand-Target Pair