null

SMILES: CNC(=O)CNC(=O)Nc1nnc(S)s1

InChI Key: InChIKey=YZJVCXDOAAOGHA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50241371   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50241371 (1-(2-(methylamino)-2-oxoethyl)-3-(5-thioxo-4,5-dih...) Show SMILES CNC(=O)CNC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C6H9N5O2S2/c1-7-3(12)2-8-4(13)9-5-10-11-6(14)15-5/h2H2,1H3,(H,7,12)(H,11,14)(H2,8,9,10,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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))	BDBM50241371 (1-(2-(methylamino)-2-oxoethyl)-3-(5-thioxo-4,5-dih...) Show SMILES CNC(=O)CNC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C6H9N5O2S2/c1-7-3(12)2-8-4(13)9-5-10-11-6(14)15-5/h2H2,1H3,(H,7,12)(H,11,14)(H2,8,9,10,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+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
Stromelysin-1 (Homo sapiens (Human))	BDBM50241371 (1-(2-(methylamino)-2-oxoethyl)-3-(5-thioxo-4,5-dih...) Show SMILES CNC(=O)CNC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C6H9N5O2S2/c1-7-3(12)2-8-4(13)9-5-10-11-6(14)15-5/h2H2,1H3,(H,7,12)(H,11,14)(H2,8,9,10,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.66E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50241371 (1-(2-(methylamino)-2-oxoethyl)-3-(5-thioxo-4,5-dih...) Show SMILES CNC(=O)CNC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C6H9N5O2S2/c1-7-3(12)2-8-4(13)9-5-10-11-6(14)15-5/h2H2,1H3,(H,7,12)(H,11,14)(H2,8,9,10,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.66E+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 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
Stromelysin-1 (Homo sapiens (Human))	BDBM50241371 (1-(2-(methylamino)-2-oxoethyl)-3-(5-thioxo-4,5-dih...) Show SMILES CNC(=O)CNC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C6H9N5O2S2/c1-7-3(12)2-8-4(13)9-5-10-11-6(14)15-5/h2H2,1H3,(H,7,12)(H,11,14)(H2,8,9,10,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.66E+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-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