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BDBM11843 2-[(4-nitrobenzene)sulfonamido]-3-phenyl-N-{1-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}propanamide::5-mercapto-1,3,4-thiadiazole 12h

SMILES: CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)Nc1nnc(S)s1

InChI Key: InChIKey=WXEFGNPPQHTRDV-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 11843   
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
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM11843
PNG
(2-[(4-nitrobenzene)sulfonamido]-3-phenyl-N-{1-[(5-...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C20H20N6O6S3/c1-12(17(27)22-19-23-24-20(33)34-19)21-18(28)16(11-13-5-3-2-4-6-13)25-35(31,32)15-9-7-14(8-10-15)26(29)30/h2-10,12,16,25H,11H2,1H3,(H,21,28)(H,24,33)(H,22,23,27)
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Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrop...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11843
PNG
(2-[(4-nitrobenzene)sulfonamido]-3-phenyl-N-{1-[(5-...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C20H20N6O6S3/c1-12(17(27)22-19-23-24-20(33)34-19)21-18(28)16(11-13-5-3-2-4-6-13)25-35(31,32)15-9-7-14(8-10-15)26(29)30/h2-10,12,16,25H,11H2,1H3,(H,21,28)(H,24,33)(H,22,23,27)
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Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrop...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair
Collagenase (ChC)


(Clostridium histolyticum)
BDBM11843
PNG
(2-[(4-nitrobenzene)sulfonamido]-3-phenyl-N-{1-[(5-...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C20H20N6O6S3/c1-12(17(27)22-19-23-24-20(33)34-19)21-18(28)16(11-13-5-3-2-4-6-13)25-35(31,32)15-9-7-14(8-10-15)26(29)30/h2-10,12,16,25H,11H2,1H3,(H,21,28)(H,24,33)(H,22,23,27)
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PC cid
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Article
PubMed
1.30E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
The rate of hydrolysis was determined from the change in absorbance at 324 nm using an extinction coefficient, 24700 M-1 cm-1 for FALGPA. Initial vel...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM11843
PNG
(2-[(4-nitrobenzene)sulfonamido]-3-phenyl-N-{1-[(5-...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C20H20N6O6S3/c1-12(17(27)22-19-23-24-20(33)34-19)21-18(28)16(11-13-5-3-2-4-6-13)25-35(31,32)15-9-7-14(8-10-15)26(29)30/h2-10,12,16,25H,11H2,1H3,(H,21,28)(H,24,33)(H,22,23,27)
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PubMed
1.50E+4 -6.51n/an/an/an/an/a6.022



Universita degli Studi di Firenze



Assay Description
Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrop...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11843
PNG
(2-[(4-nitrobenzene)sulfonamido]-3-phenyl-N-{1-[(5-...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C20H20N6O6S3/c1-12(17(27)22-19-23-24-20(33)34-19)21-18(28)16(11-13-5-3-2-4-6-13)25-35(31,32)15-9-7-14(8-10-15)26(29)30/h2-10,12,16,25H,11H2,1H3,(H,21,28)(H,24,33)(H,22,23,27)
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Article
PubMed
1.80E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates for the hydrolysis of the thioester substrate were used for assessing the catalytic activity and inhibition of the MMPs by the spectrop...


Bioorg Med Chem Lett 12: 2667-72 (2002)


Article DOI: 10.1016/S0960-894X(02)00564-4
BindingDB Entry DOI: 10.7270/Q2RX999X
More data for this
Ligand-Target Pair