Found 3 hits of ic50 for monomerid = 50073906 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Metalloproteinase inhibitor 3
(Rattus norvegicus) | BDBM50073906
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1 |wU:6.11,14.14,3.2,wD:6.6,(-7.72,-12.8,;-7.72,-11.24,;-6.38,-10.5,;-6.38,-8.96,;-7.7,-8.19,;-7.7,-6.65,;-6.38,-5.88,;-7.72,-5.11,;-7.72,-3.57,;-5.06,-6.65,;-5.06,-8.19,;-5.06,-5.11,;-5.06,-3.57,;-3.71,-5.88,;-2.37,-5.11,;-2.37,-3.57,;-1.63,-2.22,;-2.41,-.91,;-1.67,.44,;-.13,.47,;.67,-.87,;-.09,-2.21,;-1.05,-5.88,;-1.05,-7.42,;.29,-5.11,;1.61,-5.88,;1.6,-7.42,;2.93,-8.19,;4.27,-7.42,;5.61,-8.21,;5.59,-9.75,;4.28,-5.88,;2.95,-5.1,)| Show InChI InChI=1S/C26H34N2O4S/c1-3-32-22-13-15-26(18-33,16-14-22)25(30)28-23(17-19-7-5-4-6-8-19)24(29)27-20-9-11-21(31-2)12-10-20/h4-12,22-23,33H,3,13-18H2,1-2H3,(H,27,29)(H,28,30)/t22-,23-,26+/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Biomedical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloproteinase-3 |
Bioorg Med Chem Lett 9: 195-200 (1999)
BindingDB Entry DOI: 10.7270/Q2RX9B7F |
More data for this Ligand-Target Pair | |
Matrix metalloproteinase-9
(Rattus norvegicus (Rat)) | BDBM50073906
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1 |wU:6.11,14.14,3.2,wD:6.6,(-7.72,-12.8,;-7.72,-11.24,;-6.38,-10.5,;-6.38,-8.96,;-7.7,-8.19,;-7.7,-6.65,;-6.38,-5.88,;-7.72,-5.11,;-7.72,-3.57,;-5.06,-6.65,;-5.06,-8.19,;-5.06,-5.11,;-5.06,-3.57,;-3.71,-5.88,;-2.37,-5.11,;-2.37,-3.57,;-1.63,-2.22,;-2.41,-.91,;-1.67,.44,;-.13,.47,;.67,-.87,;-.09,-2.21,;-1.05,-5.88,;-1.05,-7.42,;.29,-5.11,;1.61,-5.88,;1.6,-7.42,;2.93,-8.19,;4.27,-7.42,;5.61,-8.21,;5.59,-9.75,;4.28,-5.88,;2.95,-5.1,)| Show InChI InChI=1S/C26H34N2O4S/c1-3-32-22-13-15-26(18-33,16-14-22)25(30)28-23(17-19-7-5-4-6-8-19)24(29)27-20-9-11-21(31-2)12-10-20/h4-12,22-23,33H,3,13-18H2,1-2H3,(H,27,29)(H,28,30)/t22-,23-,26+/m0/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Biomedical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloproteinase-9 |
Bioorg Med Chem Lett 9: 195-200 (1999)
BindingDB Entry DOI: 10.7270/Q2RX9B7F |
More data for this Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50073906
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1 |wU:6.11,14.14,3.2,wD:6.6,(-7.72,-12.8,;-7.72,-11.24,;-6.38,-10.5,;-6.38,-8.96,;-7.7,-8.19,;-7.7,-6.65,;-6.38,-5.88,;-7.72,-5.11,;-7.72,-3.57,;-5.06,-6.65,;-5.06,-8.19,;-5.06,-5.11,;-5.06,-3.57,;-3.71,-5.88,;-2.37,-5.11,;-2.37,-3.57,;-1.63,-2.22,;-2.41,-.91,;-1.67,.44,;-.13,.47,;.67,-.87,;-.09,-2.21,;-1.05,-5.88,;-1.05,-7.42,;.29,-5.11,;1.61,-5.88,;1.6,-7.42,;2.93,-8.19,;4.27,-7.42,;5.61,-8.21,;5.59,-9.75,;4.28,-5.88,;2.95,-5.1,)| Show InChI InChI=1S/C26H34N2O4S/c1-3-32-22-13-15-26(18-33,16-14-22)25(30)28-23(17-19-7-5-4-6-8-19)24(29)27-20-9-11-21(31-2)12-10-20/h4-12,22-23,33H,3,13-18H2,1-2H3,(H,27,29)(H,28,30)/t22-,23-,26+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Biomedical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against matrix metalloproteinase 1 |
Bioorg Med Chem Lett 9: 195-200 (1999)
BindingDB Entry DOI: 10.7270/Q2RX9B7F |
More data for this Ligand-Target Pair | |