BDBM50460492 CHEMBL4228452

SMILES: Oc1ccc(cc1C(=O)N(CC#N)Cc1ccccc1)[N+]([O-])=O

InChI Key: InChIKey=MMEZOKDCVMUYOH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50460492   

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))	BDBM50460492 (CHEMBL4228452) Show SMILES Oc1ccc(cc1C(=O)N(CC#N)Cc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C16H13N3O4/c17-8-9-18(11-12-4-2-1-3-5-12)16(21)14-10-13(19(22)23)6-7-15(14)20/h1-7,10,20H,9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60E+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 Non-competitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor comp...				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))	BDBM50460492 (CHEMBL4228452) Show SMILES Oc1ccc(cc1C(=O)N(CC#N)Cc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C16H13N3O4/c17-8-9-18(11-12-4-2-1-3-5-12)16(21)14-10-13(19(22)23)6-7-15(14)20/h1-7,10,20H,9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60E+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 Non-competitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using ...				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))	BDBM50460492 (CHEMBL4228452) Show SMILES Oc1ccc(cc1C(=O)N(CC#N)Cc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C16H13N3O4/c17-8-9-18(11-12-4-2-1-3-5-12)16(21)14-10-13(19(22)23)6-7-15(14)20/h1-7,10,20H,9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.42E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using...				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))	BDBM50460492 (CHEMBL4228452) Show SMILES Oc1ccc(cc1C(=O)N(CC#N)Cc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C16H13N3O4/c17-8-9-18(11-12-4-2-1-3-5-12)16(21)14-10-13(19(22)23)6-7-15(14)20/h1-7,10,20H,9,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.42E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor com...				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