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5 similar compounds to monomer 50135282

Compile data set for download or QSAR
Wt: 524.6
BDBM50135268
Wt: 446.5
BDBM50135274
Wt: 389.4
BDBM50135277
Wt: 434.4
BDBM50135283
Wt: 376.4
BDBM50135284

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50135268,50135274,50135277,50135283,50135284   
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
Hepsin


(Homo sapiens (Human))
BDBM50135268
PNG
(CHEMBL3747482)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C22H36N8O5S/c1-12(2)11-16(30-19(34)15(28-13(3)31)6-7-17(23)32)20(35)29-14(5-4-8-27-22(24)25)18(33)21-26-9-10-36-21/h9-10,12,14-16H,4-8,11H2,1-3H3,(H2,23,32)(H,28,31)(H,29,35)(H,30,34)(H4,24,25,27)/t14-,15-,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to 120 ...


Bioorg Med Chem Lett 26: 310-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.023
BindingDB Entry DOI: 10.7270/Q2NP267S
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50135274
PNG
(CHEMBL404190)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C21H30N6O3S/c1-12(2)11-16(25-13(3)28)19(30)26-15(8-6-10-24-21(22)23)18(29)20-27-14-7-4-5-9-17(14)31-20/h4-5,7,9,12,15-16H,6,8,10-11H2,1-3H3,(H,25,28)(H,26,30)(H4,22,23,24)/t15-,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40n/an/an/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to 120 ...


Bioorg Med Chem Lett 26: 310-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.023
BindingDB Entry DOI: 10.7270/Q2NP267S
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein homolog


(Mus musculus)
BDBM50135268
PNG
(CHEMBL3747482)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C22H36N8O5S/c1-12(2)11-16(30-19(34)15(28-13(3)31)6-7-17(23)32)20(35)29-14(5-4-8-27-22(24)25)18(33)21-26-9-10-36-21/h9-10,12,14-16H,4-8,11H2,1-3H3,(H2,23,32)(H,28,31)(H,29,35)(H,30,34)(H4,24,25,27)/t14-,15-,16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

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



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant matriptase using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to ...


Bioorg Med Chem Lett 26: 310-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.023
BindingDB Entry DOI: 10.7270/Q2NP267S
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein homolog


(Mus musculus)
BDBM50135274
PNG
(CHEMBL404190)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C21H30N6O3S/c1-12(2)11-16(25-13(3)28)19(30)26-15(8-6-10-24-21(22)23)18(29)20-27-14-7-4-5-9-17(14)31-20/h4-5,7,9,12,15-16H,6,8,10-11H2,1-3H3,(H,25,28)(H,26,30)(H4,22,23,24)/t15-,16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
227n/an/an/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant matriptase using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to ...


Bioorg Med Chem Lett 26: 310-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.023
BindingDB Entry DOI: 10.7270/Q2NP267S
More data for this
Ligand-Target Pair
Suppressor of tumorigenicity 14 protein homolog


(Mus musculus)
BDBM50135277
PNG
(CHEMBL3746635)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)c1ccccc1
Show InChI InChI=1S/C20H31N5O3/c1-13(2)12-17(24-14(3)26)19(28)25-16(10-7-11-23-20(21)22)18(27)15-8-5-4-6-9-15/h4-6,8-9,13,16-17H,7,10-12H2,1-3H3,(H,24,26)(H,25,28)(H4,21,22,23)/t16-,17+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

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



Korea University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant matriptase using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to ...


Bioorg Med Chem Lett 26: 310-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.023
BindingDB Entry DOI: 10.7270/Q2NP267S
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50135277
PNG
(CHEMBL3746635)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)c1ccccc1
Show InChI InChI=1S/C20H31N5O3/c1-13(2)12-17(24-14(3)26)19(28)25-16(10-7-11-23-20(21)22)18(27)15-8-5-4-6-9-15/h4-6,8-9,13,16-17H,7,10-12H2,1-3H3,(H,24,26)(H,25,28)(H4,21,22,23)/t16-,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

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



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin using Boc-QAR-AMC as substrate preincubated for 30 mins followed by substrate addition measured for 15 to 120 ...


Bioorg Med Chem Lett 26: 310-4 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.023
BindingDB Entry DOI: 10.7270/Q2NP267S
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50135284
PNG
(CHEMBL3746105)
Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)OC(=O)c1cc(on1)N(O)C1CCCO1
Show InChI InChI=1S/C20H28N2O5/c1-18-7-13-8-19(2,10-18)12-20(9-13,11-18)26-17(23)14-6-16(27-21-14)22(24)15-4-3-5-25-15/h6,13,15,24H,3-5,7-12H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

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



Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX1 assessed as reduction in linoleic acid oxidation measured every 10 s for 10 mins by spectrophotometry analysis


Bioorg Med Chem 24: 712-20 (2016)


Article DOI: 10.1016/j.bmc.2015.12.040
BindingDB Entry DOI: 10.7270/Q28C9Z37
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50135283
PNG
(CHEMBL3747650)
Show SMILES CC(C)OC(=O)C12CC3CC(CC(C3)(C1)OC(=O)c1cc(on1)N(O)C1CCCO1)C2
Show InChI InChI=1S/C22H30N2O7/c1-13(2)29-20(26)21-8-14-6-15(9-21)11-22(10-14,12-21)30-19(25)16-7-18(31-23-16)24(27)17-4-3-5-28-17/h7,13-15,17,27H,3-6,8-12H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.77E+5n/an/an/an/an/an/a



Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Inhibition of soybean LOX1 assessed as reduction in linoleic acid oxidation measured every 10 s for 10 mins by spectrophotometry analysis


Bioorg Med Chem 24: 712-20 (2016)


Article DOI: 10.1016/j.bmc.2015.12.040
BindingDB Entry DOI: 10.7270/Q28C9Z37
More data for this
Ligand-Target Pair