BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 302.3
BDBM50086761
Wt: 356.2
BDBM50086753
Wt: 331.3
BDBM50086755
Wt: 361.3
BDBM50086765
Wt: 346.3
BDBM50086806
Wt: 317.3
BDBM50086810
Wt: 364.3
BDBM50086842
Wt: 331.3
BDBM50100762
Wt: 317.3
BDBM50100775
Wt: 364.3
BDBM50100777
Wt: 361.3
BDBM50100792
Wt: 346.3
BDBM50100799
Wt: 370.4
BDBM50100807
Wt: 356.2
BDBM50100815
Wt: 302.3
BDBM50100769
Displayed 1 to 15 (of 214 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 15 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Microbial collagenase


(Clostridium perfringens)
BDBM50100799
PNG
(2-[[(dimethylamino)sulfonyl](2-nitrobenzyl)amino]-...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)N(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N4O6S/c1-9(12(17)13-18)15(23(21,22)14(2)3)8-10-6-4-5-7-11(10)16(19)20/h4-7,9,18H,8H2,1-3H3,(H,13,17)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
79n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


Article DOI: 10.1021/jm010087e
BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Microbial collagenase


(Clostridium perfringens)
BDBM50100775
PNG
(CHEMBL305953 | N-Hydroxy-2-[methanesulfonyl-(2-nit...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C11H15N3O6S/c1-8(11(15)12-16)13(21(2,19)20)7-9-5-3-4-6-10(9)14(17)18/h3-6,8,16H,7H2,1-2H3,(H,12,15)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
86n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


Article DOI: 10.1021/jm010087e
BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Microbial collagenase


(Clostridium perfringens)
BDBM50100807
PNG
(2-[(2-Nitro-benzyl)-(thiophene-2-sulfonyl)-amino]-...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1cccs1)C(O)=O
Show InChI InChI=1S/C14H14N2O6S2/c1-10(14(17)18)15(24(21,22)13-7-4-8-23-13)9-11-5-2-3-6-12(11)16(19)20/h2-8,10H,9H2,1H3,(H,17,18)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


Article DOI: 10.1021/jm010087e
BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Microbial collagenase


(Clostridium perfringens)
BDBM50086753
PNG
(2-[(4-Nitro-benzyl)-trifluoromethanesulfonyl-amino...)
Show SMILES CC(N(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C11H11F3N2O6S/c1-7(10(17)18)15(23(21,22)11(12,13)14)6-8-2-4-9(5-3-8)16(19)20/h2-5,7H,6H2,1H3,(H,17,18)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.70E+3n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibition of Clostridium histolyticum collagenase using a linear regression program


Bioorg Med Chem Lett 10: 499-502 (2000)


Article DOI: 10.1016/s0960-894x(00)00026-3
BindingDB Entry DOI: 10.7270/Q28G8JXP
More data for this
Ligand-Target Pair
Microbial collagenase


(Clostridium perfringens)
BDBM50100815
PNG
(2-[(2-Nitro-benzyl)-trifluoromethanesulfonyl-amino...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C11H11F3N2O6S/c1-7(10(17)18)15(23(21,22)11(12,13)14)6-8-4-2-3-5-9(8)16(19)20/h2-5,7H,6H2,1H3,(H,17,18)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.10E+3n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


Article DOI: 10.1021/jm010087e
BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Microbial collagenase


(Clostridium perfringens)
BDBM50086765
PNG
(2-[3-(4-Fluoro-phenyl)-1-(4-nitro-benzyl)-ureido]-...)
Show SMILES CC(N(Cc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C17H16FN3O5/c1-11(16(22)23)20(10-12-2-8-15(9-3-12)21(25)26)17(24)19-14-6-4-13(18)5-7-14/h2-9,11H,10H2,1H3,(H,19,24)(H,22,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.40E+3n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibition of Clostridium histolyticum collagenase using a linear regression program


Bioorg Med Chem Lett 10: 499-502 (2000)


Article DOI: 10.1016/s0960-894x(00)00026-3
BindingDB Entry DOI: 10.7270/Q28G8JXP
More data for this
Ligand-Target Pair
Microbial collagenase


(Clostridium perfringens)
BDBM50100792
PNG
(2-[3-(4-Fluoro-phenyl)-1-(2-nitro-benzyl)-ureido]-...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)C(=O)Nc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C17H16FN3O5/c1-11(16(22)23)20(10-12-4-2-3-5-15(12)21(25)26)17(24)19-14-8-6-13(18)7-9-14/h2-9,11H,10H2,1H3,(H,19,24)(H,22,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.20E+3n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


Article DOI: 10.1021/jm010087e
BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Microbial collagenase


(Clostridium perfringens)
BDBM50086761
PNG
(2-[Methanesulfonyl-(4-nitro-benzyl)-amino]-propion...)
Show SMILES CC(N(Cc1ccc(cc1)[N+]([O-])=O)S(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C11H14N2O6S/c1-8(11(14)15)12(20(2,18)19)7-9-3-5-10(6-4-9)13(16)17/h3-6,8H,7H2,1-2H3,(H,14,15)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80E+4n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibition of Clostridium histolyticum collagenase using a linear regression program


Bioorg Med Chem Lett 10: 499-502 (2000)


Article DOI: 10.1016/s0960-894x(00)00026-3
BindingDB Entry DOI: 10.7270/Q28G8JXP
More data for this
Ligand-Target Pair
Microbial collagenase


(Clostridium perfringens)
BDBM50086842
PNG
(2-[Benzenesulfonyl-(4-nitro-benzyl)-amino]-propion...)
Show SMILES CC(N(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C16H16N2O6S/c1-12(16(19)20)17(25(23,24)15-5-3-2-4-6-15)11-13-7-9-14(10-8-13)18(21)22/h2-10,12H,11H2,1H3,(H,19,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10E+4n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibition of Clostridium histolyticum collagenase using a linear regression program


Bioorg Med Chem Lett 10: 499-502 (2000)


Article DOI: 10.1016/s0960-894x(00)00026-3
BindingDB Entry DOI: 10.7270/Q28G8JXP
More data for this
Ligand-Target Pair
Microbial collagenase


(Clostridium perfringens)
BDBM50100769
PNG
(2-[Methanesulfonyl-(2-nitro-benzyl)-amino]-propion...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C11H14N2O6S/c1-8(11(14)15)12(20(2,18)19)7-9-5-3-4-6-10(9)13(16)17/h3-6,8H,7H2,1-2H3,(H,14,15)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20E+4n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


Article DOI: 10.1021/jm010087e
BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Microbial collagenase


(Clostridium perfringens)
BDBM50100777
PNG
(2-[Benzenesulfonyl-(2-nitro-benzyl)-amino]-propion...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C16H16N2O6S/c1-12(16(19)20)17(25(23,24)14-8-3-2-4-9-14)11-13-7-5-6-10-15(13)18(21)22/h2-10,12H,11H2,1H3,(H,19,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.70E+4n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


Article DOI: 10.1021/jm010087e
BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Microbial collagenase


(Clostridium perfringens)
BDBM50086755
PNG
(2-[[(dimethylamino)sulfonyl](4-nitrobenzyl)amino]p...)
Show SMILES CC(N(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)N(C)C)C(O)=O
Show InChI InChI=1S/C12H17N3O6S/c1-9(12(16)17)14(22(20,21)13(2)3)8-10-4-6-11(7-5-10)15(18)19/h4-7,9H,8H2,1-3H3,(H,16,17)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.60E+4n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibition of Clostridium histolyticum collagenase using a linear regression program


Bioorg Med Chem Lett 10: 499-502 (2000)


Article DOI: 10.1016/s0960-894x(00)00026-3
BindingDB Entry DOI: 10.7270/Q28G8JXP
More data for this
Ligand-Target Pair
Microbial collagenase


(Clostridium perfringens)
BDBM50100762
PNG
(2-[[(dimethylamino)sulfonyl](2-nitrobenzyl)amino]p...)
Show SMILES CC(N(Cc1ccccc1[N+]([O-])=O)S(=O)(=O)N(C)C)C(O)=O
Show InChI InChI=1S/C12H17N3O6S/c1-9(12(16)17)14(22(20,21)13(2)3)8-10-6-4-5-7-11(10)15(18)19/h4-7,9H,8H2,1-3H3,(H,16,17)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.30E+4n/an/an/an/an/an/an/an/a



The University of Western Australia

Curated by ChEMBL


Assay Description
Inhibitory activity against clostridium histolyticum collagenase


J Med Chem 44: 2253-8 (2001)


Article DOI: 10.1021/jm010087e
BindingDB Entry DOI: 10.7270/Q2X066B7
More data for this
Ligand-Target Pair
Microbial collagenase


(Clostridium perfringens)
BDBM50086806
PNG
(2-[[(dimethylamino)sulfonyl](4-nitrobenzyl)amino]-...)
Show SMILES CC(N(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)N(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N4O6S/c1-9(12(17)13-18)15(23(21,22)14(2)3)8-10-4-6-11(7-5-10)16(19)20/h4-7,9,18H,8H2,1-3H3,(H,13,17)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.90E+4n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibition of Clostridium histolyticum collagenase using a linear regression program


Bioorg Med Chem Lett 10: 499-502 (2000)


Article DOI: 10.1016/s0960-894x(00)00026-3
BindingDB Entry DOI: 10.7270/Q28G8JXP
More data for this
Ligand-Target Pair
Microbial collagenase


(Clostridium perfringens)
BDBM50086810
PNG
(CHEMBL145989 | N-Hydroxy-2-[methanesulfonyl-(4-nit...)
Show SMILES CC(N(Cc1ccc(cc1)[N+]([O-])=O)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C11H15N3O6S/c1-8(11(15)12-16)13(21(2,19)20)7-9-3-5-10(6-4-9)14(17)18/h3-6,8,16H,7H2,1-2H3,(H,12,15)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.60E+4n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibition of Clostridium histolyticum collagenase using a linear regression program


Bioorg Med Chem Lett 10: 499-502 (2000)


Article DOI: 10.1016/s0960-894x(00)00026-3
BindingDB Entry DOI: 10.7270/Q28G8JXP
More data for this
Ligand-Target Pair