BindingDB PrimarySearch

BDBM50076341 (S)-N-Methyl-3-pentafluorophenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-ureido]-propionamide::2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE::CHEMBL290140::PNU-142372

SMILES: CNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc1nnc(S)s1

InChI Key: InChIKey=HZAXNPDJVFUGDS-BYPYZUCNSA-N

Data: 4 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50076341
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Stromelysin-1 (Homo sapiens (Human))	BDBM50076341 ((S)-N-Methyl-3-pentafluorophenyl-2-[3-(5-thioxo-4,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	18	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
Pharmacia and Upjohn Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Stromelysin-1 (Homo sapiens (Human))	BDBM50076341 ((S)-N-Methyl-3-pentafluorophenyl-2-[3-(5-thioxo-4,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	18	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				3D Structure (crystal)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50076341 ((S)-N-Methyl-3-pentafluorophenyl-2-[3-(5-thioxo-4,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.00E+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 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))	BDBM50076341 ((S)-N-Methyl-3-pentafluorophenyl-2-[3-(5-thioxo-4,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.00E+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-1				J Med Chem 42: 1525-36 (1999) Article DOI: 10.1021/jm9803222 BindingDB Entry DOI: 10.7270/Q2C828G4
Pharmacia and Upjohn Curated by ChEMBL					More data for this Ligand-Target Pair