BDBM50295498 (S)-3-Methyl-2-(7-((2-(methylsulfonyl)ethoxy)carbonylamino)-dibenzo[b,d]thiophene-3-sulfonamido)butanoic Acid::CHEMBL552175

SMILES: CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)OCCS(C)(=O)=O)ccc21)C(O)=O

InChI Key: InChIKey=NZFXVEQIRZMPRQ-IBGZPJMESA-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 = 50295498   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50295498 ((S)-3-Methyl-2-(7-((2-(methylsulfonyl)ethoxy)carbo...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)OCCS(C)(=O)=O)ccc21)C(O)=O |r| Show InChI InChI=1S/C21H24N2O8S3/c1-12(2)19(20(24)25)23-34(29,30)14-5-7-16-15-6-4-13(10-17(15)32-18(16)11-14)22-21(26)31-8-9-33(3,27)28/h4-7,10-12,19,23H,8-9H2,1-3H3,(H,22,26)(H,24,25)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				J Med Chem 52: 5408-19 (2009) Article DOI: 10.1021/jm900809r BindingDB Entry DOI: 10.7270/Q21J99SW
					More data for this Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human))	BDBM50295498 ((S)-3-Methyl-2-(7-((2-(methylsulfonyl)ethoxy)carbo...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)OCCS(C)(=O)=O)ccc21)C(O)=O |r| Show InChI InChI=1S/C21H24N2O8S3/c1-12(2)19(20(24)25)23-34(29,30)14-5-7-16-15-6-4-13(10-17(15)32-18(16)11-14)22-21(26)31-8-9-33(3,27)28/h4-7,10-12,19,23H,8-9H2,1-3H3,(H,22,26)(H,24,25)/t19-/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	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP12				J Med Chem 52: 5408-19 (2009) Article DOI: 10.1021/jm900809r BindingDB Entry DOI: 10.7270/Q21J99SW
					More data for this Ligand-Target Pair