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SMILES: CS(=O)(=O)Nc1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1

InChI Key: InChIKey=FPXJIRSUGPCTBC-QQSVUBKYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50107579   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50107579
PNG
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C27H29N3O6S/c1-37(35,36)30-22-7-4-6-19(14-22)18-11-9-17(10-12-18)13-21(16-25(32)29-34)27(33)28-26-23-8-3-2-5-20(23)15-24(26)31/h2-12,14,21,24,26,30-31,34H,13,15-16H2,1H3,(H,28,33)(H,29,32)/t21-,24-,26+/m1/s1
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31n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharma Company

Curated by ChEMBL


Assay Description
Binding affinity for human gelatinase A (MMP-2)


Bioorg Med Chem Lett 12: 101-4 (2001)


BindingDB Entry DOI: 10.7270/Q2R49Q1C
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50107579
PNG
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C27H29N3O6S/c1-37(35,36)30-22-7-4-6-19(14-22)18-11-9-17(10-12-18)13-21(16-25(32)29-34)27(33)28-26-23-8-3-2-5-20(23)15-24(26)31/h2-12,14,21,24,26,30-31,34H,13,15-16H2,1H3,(H,28,33)(H,29,32)/t21-,24-,26+/m1/s1
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691n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharma Company

Curated by ChEMBL


Assay Description
Binding affinity for human gelatinase B (MMP-9)


Bioorg Med Chem Lett 12: 101-4 (2001)


BindingDB Entry DOI: 10.7270/Q2R49Q1C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50107579
PNG
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1
Show InChI InChI=1S/C27H29N3O6S/c1-37(35,36)30-22-7-4-6-19(14-22)18-11-9-17(10-12-18)13-21(16-25(32)29-34)27(33)28-26-23-8-3-2-5-20(23)15-24(26)31/h2-12,14,21,24,26,30-31,34H,13,15-16H2,1H3,(H,28,33)(H,29,32)/t21-,24-,26+/m1/s1
PDB
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>5.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharma Company

Curated by ChEMBL


Assay Description
Binding affinity for neutrophil collagenase (MMP-1)


Bioorg Med Chem Lett 12: 101-4 (2001)


BindingDB Entry DOI: 10.7270/Q2R49Q1C
More data for this
Ligand-Target Pair