BDBM50357050 CHEMBL1916838

SMILES: CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2sccc2c1

InChI Key: InChIKey=LSURBVCXYPJWOW-QGZVFWFLSA-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 = 50357050   

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))	BDBM50357050 (CHEMBL1916838) Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2sccc2c1 |r| Show InChI InChI=1S/C18H26N2O4S2/c1-12(2)7-9-20(17(13(3)4)18(21)19-22)26(23,24)15-5-6-16-14(11-15)8-10-25-16/h5-6,8,10-13,17,22H,7,9H2,1-4H3,(H,19,21)/t17-/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	16	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50357050 (CHEMBL1916838) Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2sccc2c1 |r| Show InChI InChI=1S/C18H26N2O4S2/c1-12(2)7-9-20(17(13(3)4)18(21)19-22)26(23,24)15-5-6-16-14(11-15)8-10-25-16/h5-6,8,10-13,17,22H,7,9H2,1-4H3,(H,19,21)/t17-/m1/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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 21: 6440-5 (2011) Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
					More data for this Ligand-Target Pair