BDBM50062313 (R)-N*1*-[(S)-1-Cyclopropylcarbamoyl-2-(1H-indol-3-yl)-ethyl]-N*4*-hydroxy-2-isobutyl-succinamide::CHEMBL306224
SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC1
InChI Key: InChIKey=VKWHTWCAMYPFQG-KUHUBIRLSA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neutrophil collagenase (Homo sapiens (Human)) | BDBM50062313 ((R)-N*1*-[(S)-1-Cyclopropylcarbamoyl-2-(1H-indol-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glycomed, Inc. Curated by ChEMBL | Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8) | J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50062313 ((R)-N*1*-[(S)-1-Cyclopropylcarbamoyl-2-(1H-indol-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glycomed, Inc. Curated by ChEMBL | Assay Description Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2) | J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50062313 ((R)-N*1*-[(S)-1-Cyclopropylcarbamoyl-2-(1H-indol-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glycomed, Inc. Curated by ChEMBL | Assay Description The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9) | J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB | |||||||||||
More data for this Ligand-Target Pair |