BDBM50295499 (S)-2-(7-((But-3-ynyloxy)carbonylamino)dibenzo[b,d]thiophene-3-sulfonamido)-3-methylbutanoic Acid::CHEMBL563407

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

InChI Key: InChIKey=BHJRCMPVJFWSEN-FQEVSTJZSA-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 = 50295499   

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))	BDBM50295499 ((S)-2-(7-((But-3-ynyloxy)carbonylamino)dibenzo[b,d...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)OCCC#C)ccc21)C(O)=O |r| Show InChI InChI=1S/C22H22N2O6S2/c1-4-5-10-30-22(27)23-14-6-8-16-17-9-7-15(12-19(17)31-18(16)11-14)32(28,29)24-20(13(2)3)21(25)26/h1,6-9,11-13,20,24H,5,10H2,2-3H3,(H,23,27)(H,25,26)/t20-/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	23	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))	BDBM50295499 ((S)-2-(7-((But-3-ynyloxy)carbonylamino)dibenzo[b,d...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)OCCC#C)ccc21)C(O)=O |r| Show InChI InChI=1S/C22H22N2O6S2/c1-4-5-10-30-22(27)23-14-6-8-16-17-9-7-15(12-19(17)31-18(16)11-14)32(28,29)24-20(13(2)3)21(25)26/h1,6-9,11-13,20,24H,5,10H2,2-3H3,(H,23,27)(H,25,26)/t20-/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	6.10	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