BDBM50460507 CHEMBL4227891

SMILES: CC(=O)c1ccc(cc1)-c1cc(c(o1)-c1ccc(cc1)C(C)=O)-c1ccc([N+]([O-])=O)c2cccnc12

InChI Key: InChIKey=NZIHOXOAJADEQF-UHFFFAOYSA-N

Data: 2 KI

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 = 50460507   

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
Cathepsin B (Homo sapiens (Human))	BDBM50460507 (CHEMBL4227891) Show SMILES CC(=O)c1ccc(cc1)-c1cc(c(o1)-c1ccc(cc1)C(C)=O)-c1ccc([N+]([O-])=O)c2cccnc12 Show InChI InChI=1S/C29H20N2O5/c1-17(32)19-5-9-21(10-6-19)27-16-25(29(36-27)22-11-7-20(8-12-22)18(2)33)23-13-14-26(31(34)35)24-4-3-15-30-28(23)24/h3-16H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor comple...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460507 (CHEMBL4227891) Show SMILES CC(=O)c1ccc(cc1)-c1cc(c(o1)-c1ccc(cc1)C(C)=O)-c1ccc([N+]([O-])=O)c2cccnc12 Show InChI InChI=1S/C29H20N2O5/c1-17(32)19-5-9-21(10-6-19)27-16-25(29(36-27)22-11-7-20(8-12-22)18(2)33)23-13-14-26(31(34)35)24-4-3-15-30-28(23)24/h3-16H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Uncompetitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor compl...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair