BDBM50076370 (S)-N,N-Dimethyl-3-phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-ureido]-propionamide::CHEMBL40034
SMILES: CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1
InChI Key: InChIKey=LUPLBSDRRWYFTC-JTQLQIEISA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Stromelysin-1 (Homo sapiens (Human)) | BDBM50076370 ((S)-N,N-Dimethyl-3-phenyl-2-[3-(5-thioxo-4,5-dihyd...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn Curated by ChEMBL | Assay Description Binding affinity for matrix metalloproteinase-3 | J Med Chem 42: 1525-36 (1999) Article DOI: 10.1021/jm9803222 BindingDB Entry DOI: 10.7270/Q2C828G4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50076370 ((S)-N,N-Dimethyl-3-phenyl-2-[3-(5-thioxo-4,5-dihyd...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco Curated by ChEMBL | Assay Description Inhibition of human stromelysin-1 (MMP-3) | J Med Chem 47: 3065-74 (2004) Article DOI: 10.1021/jm030570k BindingDB Entry DOI: 10.7270/Q26M368W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50076370 ((S)-N,N-Dimethyl-3-phenyl-2-[3-(5-thioxo-4,5-dihyd...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.26E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco Curated by ChEMBL | Assay Description Inhibition of human Matrix metalloproteinase-2 (gelatinase-A) | J Med Chem 47: 3065-74 (2004) Article DOI: 10.1021/jm030570k BindingDB Entry DOI: 10.7270/Q26M368W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50076370 ((S)-N,N-Dimethyl-3-phenyl-2-[3-(5-thioxo-4,5-dihyd...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.26E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia and Upjohn Curated by ChEMBL | Assay Description Binding affinity for matrix metalloproteinase-1 | J Med Chem 42: 1525-36 (1999) Article DOI: 10.1021/jm9803222 BindingDB Entry DOI: 10.7270/Q2C828G4 | |||||||||||
More data for this Ligand-Target Pair |