| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 23 | No |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.38 | 0.45 | -15.72 | 5 | 8 | 0 | 128 | 331.413 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.38 | 1.66 | -56.16 | 4 | 8 | -1 | 131 | 330.405 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.38e+00 g/l | DrugBank-approved |
| UniProt Database Links | ADA15_HUMAN | ChEBI |
| PUBCHEM_PATENT_ID | EP0819430A1; EP0883398A1; EP0887348A1; EP0888310A1; EP0897908A1; EP0912535A1; EP0914116A1; EP0914116B1; EP0920414A1; EP0925289A1; EP0929530A1; EP0935963A2; EP0942746A1; EP0946166A1; EP0967987A1; EP0973392A1; EP0977600A2; EP0977745A1; EP0983257A1; EP098325 | IBM Patent Data |
| Target | MMP | Selleck Chemicals |
| Patent Database Links | US2005009845; US2005058725; US2007185069 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA17-1-E | ADAM17 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6 | 0.50 | Binding ≤ 10μM |
| MMP1-2-E | Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5 | 0.51 | Binding ≤ 10μM |
| MMP1-2-E | Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5 | 0.51 | Binding ≤ 10μM |
| MMP13-1-E | Matrix Metalloproteinase 13 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 4 | 0.51 | Binding ≤ 10μM |
| MMP14-3-E | Matrix Metalloproteinase 14 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 2 | 0.53 | Binding ≤ 10μM |
| MMP2-1-E | 72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6 | 0.50 | Binding ≤ 10μM |
| MMP2-1-E | 72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6 | 0.50 | Binding ≤ 10μM |
| MMP3-1-E | Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 84 | 0.43 | Binding ≤ 10μM |
| MMP3-1-E | Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 200 | 0.41 | Binding ≤ 10μM |
| MMP7-1-E | Matrix Metalloproteinase 7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.51 | Binding ≤ 10μM |
| MMP7-1-E | Matrix Metalloproteinase 7 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 20 | 0.47 | Binding ≤ 10μM |
| MMP8-1-E | Matrix Metalloproteinase 8 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2 | 0.53 | Binding ≤ 10μM |
| MMP8-1-E | Matrix Metalloproteinase 8 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2 | 0.53 | Binding ≤ 10μM |
| MMP9-2-E | Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 3 | 0.52 | Binding ≤ 10μM |
| MMP9-2-E | Matrix Metalloproteinase 9 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 8 | 0.49 | Binding ≤ 10μM |
| ADA17-1-E | ADAM17 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7000 | 0.31 | Functional ≤ 10μM |
| TNFA-2-E | TNF-alpha (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1001 | 0.37 | Functional ≤ 10μM |
| Z50587-4-O | Homo Sapiens (cluster #4 Of 9), Other | Other | 4100 | 0.33 | Functional ≤ 10μM |
| Z80548-2-O | THP-1 (Acute Monocytic Leukemia Cells) (cluster #2 Of 5), Other | Other | 2100 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA17_HUMAN | P78536 | ADAM17, Human | 0.4 | 0.57 | Binding ≤ 1μM |
| MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 1.2 | 0.54 | Binding ≤ 1μM |
| MMP14_HUMAN | P50281 | Matrix Metalloproteinase 14, Human | 1.82 | 0.53 | Binding ≤ 1μM |
| MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 200 | 0.41 | Binding ≤ 1μM |
| MMP7_HUMAN | P09237 | Matrix Metalloproteinase 7, Human | 20 | 0.47 | Binding ≤ 1μM |
| MMP8_HUMAN | P22894 | Matrix Metalloproteinase 8, Human | 2 | 0.53 | Binding ≤ 1μM |
| MMP9_HUMAN | P14780 | Matrix Metalloproteinase 9, Human | 3 | 0.52 | Binding ≤ 1μM |
| MMP1_HUMAN | P03956 | Matrix Metalloproteinase-1, Human | 5 | 0.51 | Binding ≤ 1μM |
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 6 | 0.50 | Binding ≤ 1μM |
| ADA17_HUMAN | P78536 | ADAM17, Human | 0.4 | 0.57 | Binding ≤ 10μM |
| MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 1.2 | 0.54 | Binding ≤ 10μM |
| MMP14_HUMAN | P50281 | Matrix Metalloproteinase 14, Human | 1.82 | 0.53 | Binding ≤ 10μM |
| MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 200 | 0.41 | Binding ≤ 10μM |
| MMP7_HUMAN | P09237 | Matrix Metalloproteinase 7, Human | 20 | 0.47 | Binding ≤ 10μM |
| MMP8_HUMAN | P22894 | Matrix Metalloproteinase 8, Human | 2 | 0.53 | Binding ≤ 10μM |
| MMP9_HUMAN | P14780 | Matrix Metalloproteinase 9, Human | 3 | 0.52 | Binding ≤ 10μM |
| MMP1_HUMAN | P03956 | Matrix Metalloproteinase-1, Human | 5 | 0.51 | Binding ≤ 10μM |
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 6 | 0.50 | Binding ≤ 10μM |
| ADA17_HUMAN | P78536 | ADAM17, Human | 4100 | 0.33 | Functional ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 4100 | 0.33 | Functional ≤ 10μM |
| Z80548 | Z80548 | THP-1 (Acute Monocytic Leukemia Cells) | 2100 | 0.35 | Functional ≤ 10μM |
| TNFA_HUMAN | P01375 | TNF-alpha, Human | 1001 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activated NOTCH1 Transmits Signal to the Nucleus | |
| Activation of Matrix Metalloproteinases | |
| Assembly of collagen fibrils and other multimeric structures | |
| Basigin interactions | |
| Collagen degradation | |
| Constitutive Signaling by NOTCH1 HD Domain Mutants | |
| Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants | |
| Constitutive Signaling by NOTCH1 PEST Domain Mutants | |
| Constitutive Signaling by NOTCH1 t(7;9)(NOTCH1:M1580_K2555) Translocation Mutant | |
| Degradation of the extracellular matrix | |
| EGFR Transactivation by Gastrin | |
| EPH-ephrin mediated repulsion of cells | |
| Growth hormone receptor signaling | |
| Nuclear signaling by ERBB4 | |
| Regulated proteolysis of p75NTR | |
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l | |
| Release of Hh-Np from the secreting cell | |
| Signaling by EGFR | |
| Signaling by SCF-KIT | |
| TNF signaling | |
| Transcriptional regulation of white adipocyte differentiation |
