BDBM50077151 (R)-2-[5-(4-Ethyl-phenylethynyl)-thiophene-2-sulfonylamino]-3-methyl-butyric acid::CHEMBL49413

SMILES: CCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](C(C)C)C(O)=O

InChI Key: InChIKey=ZDCLAWKUXDCGDW-GOSISDBHSA-N

Data: 2 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 2 hits for monomerid = 50077151   

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))	BDBM50077151 ((R)-2-[5-(4-Ethyl-phenylethynyl)-thiophene-2-sulfo...) Show SMILES CCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](C(C)C)C(O)=O Show InChI InChI=1S/C19H21NO4S2/c1-4-14-5-7-15(8-6-14)9-10-16-11-12-17(25-16)26(23,24)20-18(13(2)3)19(21)22/h5-8,11-13,18,20H,4H2,1-3H3,(H,21,22)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)				J Med Chem 42: 1723-38 (1999) Article DOI: 10.1021/jm980514x BindingDB Entry DOI: 10.7270/Q2KP81BQ
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50077151 ((R)-2-[5-(4-Ethyl-phenylethynyl)-thiophene-2-sulfo...) Show SMILES CCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](C(C)C)C(O)=O Show InChI InChI=1S/C19H21NO4S2/c1-4-14-5-7-15(8-6-14)9-10-16-11-12-17(25-16)26(23,24)20-18(13(2)3)19(21)22/h5-8,11-13,18,20H,4H2,1-3H3,(H,21,22)/t18-/m1/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	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)				J Med Chem 42: 1723-38 (1999) Article DOI: 10.1021/jm980514x BindingDB Entry DOI: 10.7270/Q2KP81BQ
					More data for this Ligand-Target Pair