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BDBM26561 (3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-yl)methyl]benzene}-1-(prop-2-yn-1-yl)pyrrolidine-3,4-dicarboxamide::2-methyl indole, 17

SMILES: Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CN(CC#C)C[C@@H]1C(=O)NO

InChI Key: InChIKey=UCBHULDBBSNWOP-JTHBVZDNSA-N

Data: 4 KI  1 IC50

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 = 26561   
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-12 (MMP12)


(Homo sapiens (Human))
BDBM26561
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CN(CC#C)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C25H26N4O3/c1-3-12-29-14-21(25(31)28-32)23(15-29)27-24(30)18-10-8-17(9-11-18)13-20-16(2)26-22-7-5-4-6-19(20)22/h1,4-11,21,23,26,32H,12-15H2,2H3,(H,27,30)(H,28,31)/t21-,23+/m0/s1
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Article
PubMed
70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM26561
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CN(CC#C)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C25H26N4O3/c1-3-12-29-14-21(25(31)28-32)23(15-29)27-24(30)18-10-8-17(9-11-18)13-20-16(2)26-22-7-5-4-6-19(20)22/h1,4-11,21,23,26,32H,12-15H2,2H3,(H,27,30)(H,28,31)/t21-,23+/m0/s1
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311n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM26561
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CN(CC#C)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C25H26N4O3/c1-3-12-29-14-21(25(31)28-32)23(15-29)27-24(30)18-10-8-17(9-11-18)13-20-16(2)26-22-7-5-4-6-19(20)22/h1,4-11,21,23,26,32H,12-15H2,2H3,(H,27,30)(H,28,31)/t21-,23+/m0/s1
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852n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM26561
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CN(CC#C)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C25H26N4O3/c1-3-12-29-14-21(25(31)28-32)23(15-29)27-24(30)18-10-8-17(9-11-18)13-20-16(2)26-22-7-5-4-6-19(20)22/h1,4-11,21,23,26,32H,12-15H2,2H3,(H,27,30)(H,28,31)/t21-,23+/m0/s1
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PubMed
2.93E+3 -7.54n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM26561
PNG
((3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-indol-3-y...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CN(CC#C)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C25H26N4O3/c1-3-12-29-14-21(25(31)28-32)23(15-29)27-24(30)18-10-8-17(9-11-18)13-20-16(2)26-22-7-5-4-6-19(20)22/h1,4-11,21,23,26,32H,12-15H2,2H3,(H,27,30)(H,28,31)/t21-,23+/m0/s1
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UniChem

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Article
PubMed
n/an/a 1n/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1958-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.120
BindingDB Entry DOI: 10.7270/Q25B00SX
More data for this
Ligand-Target Pair