BindingDB logo
myBDB logout

6 similar compounds to monomer 50005149

Compile data set for download or QSAR
Wt: 763.2
BDBM50004184
Wt: 749.2
BDBM50005150
Wt: 735.1
BDBM50005151
Wt: 811.2
BDBM50005161
Wt: 749.1
BDBM50005162
Wt: 737.1
BDBM50005175

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50004184,50005150,50005151,50005161,50005162,50005175   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50004184
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-((S)-1...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C36H38ClF3N4O7S/c1-20(2)30(32(46)36(38,39)40)41-29(45)19-44(27-17-24-7-5-6-8-25(24)18-27)35(49)31(21(3)4)42-33(47)22-9-11-23(12-10-22)34(48)43-52(50,51)28-15-13-26(37)14-16-28/h5-16,20-21,27,30-31H,17-19H2,1-4H3,(H,41,45)(H,42,47)(H,43,48)/t30?,31-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 84n/an/an/an/a7.5n/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5


J Med Chem 35: 4795-808 (1993)


Article DOI: 10.1021/jm00104a004
BindingDB Entry DOI: 10.7270/Q2HX1BM5
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50004184
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-((S)-1...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C36H38ClF3N4O7S/c1-20(2)30(32(46)36(38,39)40)41-29(45)19-44(27-17-24-7-5-6-8-25(24)18-27)35(49)31(21(3)4)42-33(47)22-9-11-23(12-10-22)34(48)43-52(50,51)28-15-13-26(37)14-16-28/h5-16,20-21,27,30-31H,17-19H2,1-4H3,(H,41,45)(H,42,47)(H,43,48)/t30?,31-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 84n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


Bioorg Med Chem Lett 3: 773-778 (1993)


Article DOI: 10.1016/S0960-894X(01)81273-7
BindingDB Entry DOI: 10.7270/Q2FJ2GQ4
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005150
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{in...)
Show SMILES CC(C)C(NCCN(C1Cc2ccccc2C1)C(=O)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C36H40ClF3N4O6S/c1-21(2)30(32(45)36(38,39)40)41-17-18-44(28-19-25-7-5-6-8-26(25)20-28)35(48)31(22(3)4)42-33(46)23-9-11-24(12-10-23)34(47)43-51(49,50)29-15-13-27(37)14-16-29/h5-16,21-22,28,30-31,41H,17-20H2,1-4H3,(H,42,46)(H,43,47)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005175
PNG
(CHEMBL159116 | N-(1-{Benzyl-[(3,3,3-trifluoro-1-is...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)Cc1ccccc1
Show InChI InChI=1S/C34H36ClF3N4O7S/c1-20(2)28(30(44)34(36,37)38)39-27(43)19-42(18-22-8-6-5-7-9-22)33(47)29(21(3)4)40-31(45)23-10-12-24(13-11-23)32(46)41-50(48,49)26-16-14-25(35)15-17-26/h5-17,20-21,28-29H,18-19H2,1-4H3,(H,39,43)(H,40,45)(H,41,46)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 217n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005161
PNG
(CHEMBL347458 | N-(1-{[(1-Benzyl-3,3,3-trifluoro-2-...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C40H38ClF3N4O7S/c1-24(2)35(46-37(51)26-12-14-27(15-13-26)38(52)47-56(54,55)32-18-16-30(41)17-19-32)39(53)48(31-21-28-10-6-7-11-29(28)22-31)23-34(49)45-33(36(50)40(42,43)44)20-25-8-4-3-5-9-25/h3-19,24,31,33,35H,20-23H2,1-2H3,(H,45,49)(H,46,51)(H,47,52)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005162
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{in...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C)(C)C(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C35H36ClF3N4O7S/c1-20(2)29(40-30(45)21-9-11-22(12-10-21)31(46)42-51(49,50)27-15-13-25(36)14-16-27)32(47)43(26-17-23-7-5-6-8-24(23)18-26)19-28(44)41-34(3,4)33(48)35(37,38)39/h5-16,20,26,29H,17-19H2,1-4H3,(H,40,45)(H,41,44)(H,42,46)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50004184
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-((S)-1...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C36H38ClF3N4O7S/c1-20(2)30(32(46)36(38,39)40)41-29(45)19-44(27-17-24-7-5-6-8-25(24)18-27)35(49)31(21(3)4)42-33(47)22-9-11-23(12-10-22)34(48)43-52(50,51)28-15-13-26(37)14-16-28/h5-16,20-21,27,30-31H,17-19H2,1-4H3,(H,41,45)(H,42,47)(H,43,48)/t30?,31-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 84n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005151
PNG
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{in...)
Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C)C(=O)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C34H34ClF3N4O7S/c1-19(2)29(40-31(45)21-8-10-22(11-9-21)32(46)41-50(48,49)27-14-12-25(35)13-15-27)33(47)42(26-16-23-6-4-5-7-24(23)17-26)18-28(43)39-20(3)30(44)34(36,37)38/h4-15,19-20,26,29H,16-18H2,1-3H3,(H,39,43)(H,40,45)(H,41,46)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 817n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 641-62 (1992)


Article DOI: 10.1021/jm00082a005
BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair