BDBM50528546 CHEMBL4516243

SMILES: O=S(=O)(CC1CS1)c1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccncc1

InChI Key: InChIKey=YCXZBBJJRRZVJF-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50528546   

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))	BDBM50528546 (CHEMBL4516243) Show SMILES O=S(=O)(CC1CS1)c1ccc(cc1)-n1cc(nn1)-c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C22H18N4O2S2/c27-30(28,15-20-14-29-20)21-7-5-19(6-8-21)26-13-22(24-25-26)18-3-1-16(2-4-18)17-9-11-23-12-10-17/h1-13,20H,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Maharaja Ranjit Singh Punjab Technical University Curated by ChEMBL					Assay Description Inhibition of MMP2 catalytic domain (unknown origin) using Ac-PLG-[2-mercapto-4-methylpentanoyl]-LG-OC2H5 as substrate preincubated for 45 to 120 min...				Eur J Med Chem 180: 486-508 (2019) Article DOI: 10.1016/j.ejmech.2019.07.043
					More data for this Ligand-Target Pair