BDBM50064795 (3R,6S)-6-Benzyl-1-butyl-3-mercaptomethyl-piperazine-2,5-dione::CHEMBL69194

SMILES: CCCCN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CS)C1=O

InChI Key: InChIKey=WGUQAEXNOBFCNK-KBPBESRZSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50064795   

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-9 (Homo sapiens (Human))	BDBM50064795 ((3R,6S)-6-Benzyl-1-butyl-3-mercaptomethyl-piperazi...) Show SMILES CCCCN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CS)C1=O Show InChI InChI=1S/C16H22N2O2S/c1-2-3-9-18-14(10-12-7-5-4-6-8-12)15(19)17-13(11-21)16(18)20/h4-8,13-14,21H,2-3,9-11H2,1H3,(H,17,19)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description Inhibition of Matrix Metalloproteinase-9				J Med Chem 41: 2194-200 (1998) Article DOI: 10.1021/jm980133j BindingDB Entry DOI: 10.7270/Q2J38RN8
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50064795 ((3R,6S)-6-Benzyl-1-butyl-3-mercaptomethyl-piperazi...) Show SMILES CCCCN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CS)C1=O Show InChI InChI=1S/C16H22N2O2S/c1-2-3-9-18-14(10-12-7-5-4-6-8-12)15(19)17-13(11-21)16(18)20/h4-8,13-14,21H,2-3,9-11H2,1H3,(H,17,19)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	319	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description Inhibition of Matrix Metalloproteinase-1				J Med Chem 41: 2194-200 (1998) Article DOI: 10.1021/jm980133j BindingDB Entry DOI: 10.7270/Q2J38RN8
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50064795 ((3R,6S)-6-Benzyl-1-butyl-3-mercaptomethyl-piperazi...) Show SMILES CCCCN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CS)C1=O Show InChI InChI=1S/C16H22N2O2S/c1-2-3-9-18-14(10-12-7-5-4-6-8-12)15(19)17-13(11-21)16(18)20/h4-8,13-14,21H,2-3,9-11H2,1H3,(H,17,19)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description Inhibition of Matrix Metalloproteinase-3				J Med Chem 41: 2194-200 (1998) Article DOI: 10.1021/jm980133j BindingDB Entry DOI: 10.7270/Q2J38RN8
					More data for this Ligand-Target Pair