lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cn1nc(C(=O)NCc2ccc(C(=O)O)cc2)cc1-c1ccc2[nH]c(-c3cncnc3)cc2c1
InChIKey: YMHMIBRQTUFFNZ-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 452.47, ALogP 3.65, HBA 6, HBD 3, PSA 125.79, QED 0.36
Compound (SMILES): Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccc(F)cc5)[nH]c4C)ccc3[nH]2)n1
InChIKey: LKRJFDDGBREMMM-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 430.44, ALogP 4.29, HBA 5, HBD 3, PSA 112.49, QED 0.38
Compound (SMILES): Cc1[nH]c(C(=O)NCc2ccncc2)nc1-c1ccc2[nH]c(-c3nc(C4CC4)no3)cc2c1
InChIKey: NYFXGSUDNSAOLU-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 439.48, ALogP 4.12, HBA 6, HBD 3, PSA 125.38, QED 0.37
Compound (SMILES): Cc1noc(-c2cc3cc(-c4nc(C(=O)NCC5(O)CCOCC5)[nH]c4C)ccc3[nH]2)n1
InChIKey: KJVGQOBRNXAXJR-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 436.47, ALogP 2.5, HBA 7, HBD 4, PSA 141.95, QED 0.38
Compound (SMILES): Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5nnc[nH]5)[nH]c4C)ccc3[nH]2)n1
InChIKey: ZGDWVIXCUTXQKS-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 403.41, ALogP 2.27, HBA 7, HBD 4, PSA 154.06, QED 0.35
Compound (SMILES): CCOC(=O)c1[nH]c2ccc(-c3nc(C(=O)NCc4ccncc4)[nH]c3C)cc2c1F
InChIKey: GTIUUFDCOLSPJI-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 421.43, ALogP 3.51, HBA 5, HBD 3, PSA 112.76, QED 0.41
Compound (SMILES): CCOC(=O)c1cc2cc(-c3nc(C(=O)NCc4ccncc4)[nH]c3C)ncc2[nH]1
InChIKey: FNZCCNYXWBUTMG-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 404.43, ALogP 2.76, HBA 6, HBD 3, PSA 125.65, QED 0.42
Compound (SMILES): Cc1noc(-c2cc3cc(-c4nc(C(=O)NCC5CC5)[nH]c4C)ccc3[nH]2)n1
InChIKey: UFKWGCHPFWRHOB-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 376.42, ALogP 3.36, HBA 5, HBD 3, PSA 112.49, QED 0.49
Compound (SMILES): Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5cnn(C)c5)nn4C)ccc3[nH]2)n1
InChIKey: UMCQKLBLZZELBW-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 416.45, ALogP 2.59, HBA 8, HBD 2, PSA 119.45, QED 0.45
Compound (SMILES): Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5cncs5)nn4C)ccc3[nH]2)n1
InChIKey: NGOSTWFIXMTNSV-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 419.47, ALogP 3.31, HBA 8, HBD 2, PSA 114.52, QED 0.45
Compound (SMILES): Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccc(C#N)cc5)nn4C)ccc3[nH]2)n1
InChIKey: MHSBTTHKZMQJCP-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 437.46, ALogP 3.73, HBA 7, HBD 2, PSA 125.42, QED 0.43
Compound (SMILES): Cc1noc(-c2cc3cc(-c4nc(C(N)=O)[nH]c4C)ccc3[nH]2)n1
InChIKey: HRCIRIMJDZIYSN-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 322.33, ALogP 2.32, HBA 5, HBD 3, PSA 126.48, QED 0.53
Compound (SMILES): CCNC(=O)c1nc(-c2ccc3[nH]c(-c4nc(C)no4)cc3c2)c(C)[nH]1
InChIKey: OJRKCEOPYYIQFG-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 350.38, ALogP 2.97, HBA 5, HBD 3, PSA 112.49, QED 0.52
Compound (SMILES): Cc1noc(-c2cc3cc(-c4ccnc(C(=O)NCc5ccncc5)c4)ccc3[nH]2)n1
InChIKey: LMAXNMCABVPYQS-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 410.44, ALogP 3.91, HBA 6, HBD 2, PSA 109.59, QED 0.45
Compound (SMILES): Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccncc5)ncc4C)ccc3[nH]2)n1
InChIKey: ZPVRSTDYUMTZRS-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 424.46, ALogP 4.22, HBA 6, HBD 2, PSA 109.59, QED 0.44
Compound (SMILES): Cc1noc(-c2cc3cc(-c4nc(C(=O)NC(C)c5cccs5)[nH]c4C)ccc3[nH]2)n1
InChIKey: YSCRZWZJZVDDIJ-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 432.51, ALogP 4.78, HBA 6, HBD 3, PSA 112.49, QED 0.37
Compound (SMILES): Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5nnc(C)[nH]5)[nH]c4C)ccc3[nH]2)n1
InChIKey: YBCKQSGSJUZAFT-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 417.43, ALogP 2.58, HBA 7, HBD 4, PSA 154.06, QED 0.34
Compound (SMILES): Cc1[nH]c(C(=O)NCc2ccncc2)nc1-c1ccc2[nH]c(-c3nc(C(C)C)no3)cc2c1
InChIKey: IBLDMHQTFWQITK-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 441.5, ALogP 4.36, HBA 6, HBD 3, PSA 125.38, QED 0.36
Compound (SMILES): Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccc(C(O)C(F)(F)F)cc5)[nH]c4C)ccc3[nH]2)n1
InChIKey: DUIODLDINBXUEC-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 510.48, ALogP 4.75, HBA 6, HBD 4, PSA 132.72, QED 0.26
Compound (SMILES): Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccno5)nn4C)ccc3[nH]2)n1
InChIKey: JLGYMBAPQRAWKP-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 403.4, ALogP 2.84, HBA 8, HBD 2, PSA 127.66, QED 0.46
Compound (SMILES): Cc1noc(-c2cc3nc(-c4nc(C(=O)NCc5ccncc5)[nH]c4C)ccc3[nH]2)n1
InChIKey: QSVJHUOZXCBGDQ-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 414.43, ALogP 2.94, HBA 7, HBD 3, PSA 138.27, QED 0.4
Compound (SMILES): Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5cc(C)on5)nn4C)ccc3[nH]2)n1
InChIKey: GPVFHWUNUWSWLY-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 417.43, ALogP 3.15, HBA 8, HBD 2, PSA 127.66, QED 0.45
Compound (SMILES): Cc1noc(-c2cc3cc(-c4nc(C(=O)NC5CC5)[nH]c4C)ccc3[nH]2)n1
InChIKey: YTDCXDIMWOECOH-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 362.39, ALogP 3.12, HBA 5, HBD 3, PSA 112.49, QED 0.52
Compound (SMILES): Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccccc5)nn4C)ccc3[nH]2)n1
InChIKey: WCHXVBDDMCTDMR-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 412.45, ALogP 3.86, HBA 6, HBD 2, PSA 101.63, QED 0.46
Compound (SMILES): Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccc(F)cc5)nn4C)ccc3[nH]2)n1
InChIKey: KHWHUMWPAFSJQZ-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 430.44, ALogP 4, HBA 6, HBD 2, PSA 101.63, QED 0.44
Compound (SMILES): Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccco5)nn4C)ccc3[nH]2)n1
InChIKey: DCWAIWNFZJKOIN-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 402.41, ALogP 3.45, HBA 7, HBD 2, PSA 114.77, QED 0.47
Compound (SMILES): Cc1cc(-c2cc3cc(-c4cc(C(=O)NCc5ccc(C(=O)O)cc5)nn4C)ccc3[nH]2)ccc1F
InChIKey: CDVWURIEQQDWHD-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 482.52, ALogP 5.31, HBA 4, HBD 3, PSA 100.01, QED 0.31
Compound (SMILES): CCOC(=O)c1cc2cc(-c3ccnc(C(=O)NCc4ccc(=O)[nH]c4)c3)ccc2[nH]1
InChIKey: ATHJZADWADIPIE-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 416.44, ALogP 3.02, HBA 5, HBD 3, PSA 116.94, QED 0.42
Compound (SMILES): Cc1nc(-c2cc3cc(-c4ccnc(C(=O)NCc5ccncc5)c4)ccc3[nH]2)no1
InChIKey: PXODOLRGKQKHAR-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 38 nM (pChEMBL 7.420000076293945)
Descriptors: MW 410.44, ALogP 3.91, HBA 6, HBD 2, PSA 109.59, QED 0.45
Compound (SMILES): CCOC(=O)c1cc2cc(-c3nc(C(=O)OCC)[nH]c3C)ccc2[nH]1
InChIKey: SLHDBNUKOQHSKK-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 39 nM (pChEMBL 7.409999847412109)
Descriptors: MW 341.37, ALogP 3.22, HBA 5, HBD 2, PSA 97.07, QED 0.69
Compound (SMILES): Cn1nc(C(=O)NCc2ccc(C(=O)O)cc2)cc1-c1ccc2[nH]c(C3=NCCO3)cc2c1
InChIKey: KMLUNXYSVVORJO-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 443.46, ALogP 2.97, HBA 6, HBD 3, PSA 121.6, QED 0.42
Compound (SMILES): Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5cccs5)nn4C)ccc3[nH]2)n1
InChIKey: FGNVAXIAYXXQHO-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 44 nM (pChEMBL 7.360000133514404)
Descriptors: MW 418.48, ALogP 3.92, HBA 7, HBD 2, PSA 101.63, QED 0.45
Compound (SMILES): Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccoc5)nn4C)ccc3[nH]2)n1
InChIKey: FGVGIBSXAZQLHG-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 402.41, ALogP 3.45, HBA 7, HBD 2, PSA 114.77, QED 0.47
Compound (SMILES): Cn1nc(C(=O)NCc2ccc(C(=O)O)cc2)cc1-c1ccc2[nH]c(-c3ccc(F)nc3)cc2c1
InChIKey: POQKRVUUGMTRAA-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 48 nM (pChEMBL 7.320000171661377)
Descriptors: MW 469.48, ALogP 4.4, HBA 5, HBD 3, PSA 112.9, QED 0.32
Compound (SMILES): CCOC(=O)c1cc2cc(-c3nc(C(=O)NCc4ccncc4)[nH]c3C)cnc2[nH]1
InChIKey: BKDVYJPTBFRCIR-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 49 nM (pChEMBL 7.309999942779541)
Descriptors: MW 404.43, ALogP 2.76, HBA 6, HBD 3, PSA 125.65, QED 0.42
Compound (SMILES): CCOC(=O)c1cc2cc(-c3cc(C(=O)NCc4ccc(CC(=O)OC)cc4)nn3C)ccc2[nH]1
InChIKey: HEKKTBLJJPWUTF-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 51 nM (pChEMBL 7.289999961853027)
Descriptors: MW 474.52, ALogP 3.39, HBA 7, HBD 2, PSA 115.31, QED 0.38
Compound (SMILES): Cn1nc(C(=O)NCc2ccc(C(=O)O)cc2)cc1-c1ccc2[nH]c(C#N)cc2c1
InChIKey: MTGCEAYTDNXZMD-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 399.41, ALogP 3.07, HBA 5, HBD 3, PSA 123.8, QED 0.48
Compound (SMILES): Cc1cc(-c2cc3cc(-c4cc(C(=O)NCc5ccc(C(=O)O)cc5)nn4C)ccc3[nH]2)cc(F)n1
InChIKey: ACLRHOGMULWJLC-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 53 nM (pChEMBL 7.28000020980835)
Descriptors: MW 483.5, ALogP 4.71, HBA 5, HBD 3, PSA 112.9, QED 0.3
Compound (SMILES): O=C(NCc1ccncc1)c1cc(-c2ccc3[nH]c(-c4ccncc4)cc3c2)ccn1
InChIKey: ZNDZJTJFMBHECO-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 62 nM (pChEMBL 7.210000038146973)
Descriptors: MW 405.46, ALogP 4.62, HBA 4, HBD 2, PSA 83.56, QED 0.45
Compound (SMILES): Cc1noc(-c2cc3cc(-c4nc(C(=O)N5CCCCC5)[nH]c4C)ccc3[nH]2)n1
InChIKey: FRFQQYBENGJVBT-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 64 nM (pChEMBL 7.190000057220459)
Descriptors: MW 390.45, ALogP 3.85, HBA 5, HBD 2, PSA 103.7, QED 0.55
Compound (SMILES): Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5nccs5)nn4C)ccc3[nH]2)n1
InChIKey: DFCXMVFPIOZZRO-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 73 nM (pChEMBL 7.139999866485596)
Descriptors: MW 419.47, ALogP 3.31, HBA 8, HBD 2, PSA 114.52, QED 0.45
Compound (SMILES): Cc1cc(Cn2cc(-c3nc(C(=O)NCc4ccc(C(=O)O)cc4)[nH]c3C)cn2)ccc1F
InChIKey: VTSRVYFCHOZXAB-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 88 nM (pChEMBL 7.059999942779541)
Descriptors: MW 447.47, ALogP 3.71, HBA 5, HBD 3, PSA 112.9, QED 0.4
Compound (SMILES): CCOC(=O)c1cc2cc(-c3ccnc(C(=O)NCc4ccncc4)c3)ccc2[nH]1
InChIKey: JKJVYCFDDYXLFV-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 94 nM (pChEMBL 7.03000020980835)
Descriptors: MW 400.44, ALogP 3.73, HBA 5, HBD 2, PSA 96.97, QED 0.48
Compound (SMILES): Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5cscn5)nn4C)ccc3[nH]2)n1
InChIKey: XAECBTMCGNIQFG-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 94 nM (pChEMBL 7.03000020980835)
Descriptors: MW 419.47, ALogP 3.31, HBA 8, HBD 2, PSA 114.52, QED 0.45
Compound (SMILES): CCOC(=O)c1cc2nc(-c3nc(C(=O)NCc4ccncc4)[nH]c3C)ccc2[nH]1
InChIKey: AXQBUJCWTZIXPL-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 95 nM (pChEMBL 7.019999980926514)
Descriptors: MW 404.43, ALogP 2.76, HBA 6, HBD 3, PSA 125.65, QED 0.42
Compound (SMILES): Cc1noc(-c2cc3cc(-c4nc(C(=O)NC5CCOCC5)[nH]c4C)ccc3[nH]2)n1
InChIKey: OLVFVQFXLGGUJP-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 106 nM (pChEMBL 6.96999979019165)
Descriptors: MW 406.45, ALogP 3.13, HBA 6, HBD 3, PSA 121.72, QED 0.48
Compound (SMILES): Cc1noc(-c2cc3cc(-c4nc(C(=O)N5CCCC5)[nH]c4C)ccc3[nH]2)n1
InChIKey: LIUUUJALAZXKJS-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 113 nM (pChEMBL 6.949999809265137)
Descriptors: MW 376.42, ALogP 3.46, HBA 5, HBD 2, PSA 103.7, QED 0.57
Compound (SMILES): Cc1noc(-c2cc3cc(-c4cc(C(=O)NCC5CCOCC5)nn4C)ccc3[nH]2)n1
InChIKey: FBPIFEZPVYVYAO-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 116 nM (pChEMBL 6.940000057220459)
Descriptors: MW 420.47, ALogP 3.08, HBA 7, HBD 2, PSA 110.86, QED 0.51
Compound (SMILES): Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccnn5C)nn4C)ccc3[nH]2)n1
InChIKey: WIGZTTDUIWQSMT-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 125 nM (pChEMBL 6.900000095367432)
Descriptors: MW 416.45, ALogP 2.59, HBA 8, HBD 2, PSA 119.45, QED 0.45
Compound (SMILES): Cc1cc(Cn2cc(-c3ccnc(C(=O)NCc4ccc(C(=O)O)cc4)c3)cn2)ccc1F
InChIKey: ZLTDLBRBOOFDIE-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 444.47, ALogP 4.07, HBA 5, HBD 2, PSA 97.11, QED 0.45
Compound (SMILES): Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccn(C)n5)nn4C)ccc3[nH]2)n1
InChIKey: JRJABBAFCSKHSX-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 185 nM (pChEMBL 6.730000019073486)
Descriptors: MW 416.45, ALogP 2.59, HBA 8, HBD 2, PSA 119.45, QED 0.45
Compound (SMILES): COC(=O)c1cc(-c2ccc3[nH]c(-c4nc(C)no4)cc3c2)n(C)n1
InChIKey: FBGBHZFPHQHNRA-UHFFFAOYSA-N
Target: Collagenase 3 (SINGLE PROTEIN), Mus musculus
UniProt: P33435
Assay: Biological Assay: The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit uses a 5-FAM/QXL 520 fluorescence resonance energy transfer (FRET) peptide as an MMP substrate. In the intact FRET peptide, the fluorescence of 5-FAM is quenched by QXL 520. Upon cleavage into two separate fragments by MMPs, the fluorescence of 5-FAM is recovered, and can be monitored at excitation/emission wavelengths=490 nm/520 nm. The assays are performed in a convenient 96-well or 384-well microplate format.
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 337.34, ALogP 2.71, HBA 7, HBD 1, PSA 98.83, QED 0.58
Compound (SMILES): Nc1c(C(=O)Nc2cc(Cl)ccc2Cl)sc2nc(-c3cccs3)ccc12
InChIKey: MMXJAEHFWYZYJK-UHFFFAOYSA-N
Target: Nicotinate-nucleotide adenylyltransferase (SINGLE PROTEIN), Escherichia coli (strain K12)
UniProt: P0A752
Assay: Enzyme Inhibition Assay: A general phosphate detection assay method using Malachite Green reagent was adapted to measure the activity of NaMN adenylyltransferaseA14. Briefly, the byproduct of NadD catalyzed reaction, inorganic pyrophosphate (PPi), was hydrolysed by inorganic pyrophosphatase and the resulting orthophosphate was detected by the Malachite Green dye. The reaction mixture contained 2.3 nM ecNadD (or 1.2 nM baNadD) in 100 mM Hepes, pH 7.5 buffer, 0.2 mM ATP, 0.07 or 0.2 mM NaMN, 10 mM MgCl2, 0.1 mg/ml Bovine Serum Albumin, 0.2 U inorganic pyrophosphatase. Appropriate amount of inhibitors were added to the reaction mixture to assess their effect on enzyme activity. After preincubation of the enzyme with the compounds for 5 min at room temperature, the reaction was started by adding NaMN substrate. The reaction was quenched with two volumes of Malachite Green Reagent in 1.2 M sulfuric acid prepared as described by Cogan et al.A41.
Measurement: IC50 = 20000 nM (pChEMBL 4.699999809265137)
Descriptors: MW 420.35, ALogP 6.17, HBA 5, HBD 2, PSA 68.01, QED 0.42