BDBM50361630 CHEMBL1939872
SMILES: CCOC(=O)c1cc2cc(ccc2[nH]1)-c1cncn1C
InChI Key: InChIKey=FOLNSFQIWULSJC-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human)) | BDBM50361630 (CHEMBL1939872) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP14 after 60 mins by fluorimetry | J Med Chem 54: 8174-87 (2011) Article DOI: 10.1021/jm201129m BindingDB Entry DOI: 10.7270/Q2C53M9C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50361630 (CHEMBL1939872) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP2 after 30 mins by fluorimetry | J Med Chem 54: 8174-87 (2011) Article DOI: 10.1021/jm201129m BindingDB Entry DOI: 10.7270/Q2C53M9C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM50361630 (CHEMBL1939872) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc Curated by ChEMBL | Assay Description Inhibition of human MMP13 expressed in Escherichia coli after 30 mins by fluorimetry | J Med Chem 54: 8174-87 (2011) Article DOI: 10.1021/jm201129m BindingDB Entry DOI: 10.7270/Q2C53M9C | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |