BDBM50078199 CHEMBL3417742

SMILES: COc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1

InChI Key: InChIKey=GHWPTWVNZOSEBR-UHFFFAOYSA-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 = 50078199   

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
Stromelysin-1 (Homo sapiens (Human))	BDBM50078199 (CHEMBL3417742) Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1 Show InChI InChI=1S/C23H28N2O6S/c1-30-17-2-4-18(5-3-17)31-19-6-8-20(9-7-19)32(28,29)23(21(26)25-27)11-10-22(16-23)12-14-24-15-13-22/h2-9,24,27H,10-16H2,1H3,(H,25,26)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of MMP-3 (unknown origin) measured every minute for 1 hr by fluorescence assay				J Med Chem 58: 2465-88 (2015) Article DOI: 10.1021/jm501940y BindingDB Entry DOI: 10.7270/Q28C9XXK
					More data for this Ligand-Target Pair
Matrix metalloproteinase 10 (Homo sapiens (Human))	BDBM50078199 (CHEMBL3417742) Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1 Show InChI InChI=1S/C23H28N2O6S/c1-30-17-2-4-18(5-3-17)31-19-6-8-20(9-7-19)32(28,29)23(21(26)25-27)11-10-22(16-23)12-14-24-15-13-22/h2-9,24,27H,10-16H2,1H3,(H,25,26)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of MMP-10 (unknown origin) measured every minute for 1 hr by fluorescence assay				J Med Chem 58: 2465-88 (2015) Article DOI: 10.1021/jm501940y BindingDB Entry DOI: 10.7270/Q28C9XXK
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50078199 (CHEMBL3417742) Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)C2(CCC3(C2)CCNCC3)C(=O)NO)cc1 Show InChI InChI=1S/C23H28N2O6S/c1-30-17-2-4-18(5-3-17)31-19-6-8-20(9-7-19)32(28,29)23(21(26)25-27)11-10-22(16-23)12-14-24-15-13-22/h2-9,24,27H,10-16H2,1H3,(H,25,26)	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	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of human ERG channel after 2 hrs by fluorescence polarization assay				J Med Chem 58: 2465-88 (2015) Article DOI: 10.1021/jm501940y BindingDB Entry DOI: 10.7270/Q28C9XXK
					More data for this Ligand-Target Pair