BDBM50460499 CHEMBL4227299

SMILES: CN(CC#N)C(=O)c1ccc2c(cc(c(O)c2n1)[N+]([O-])=O)[N+]([O-])=O

InChI Key: InChIKey=PUIBMJZWNPJAED-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 = 50460499   

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))	BDBM50460499 (CHEMBL4227299) Show SMILES CN(CC#N)C(=O)c1ccc2c(cc(c(O)c2n1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C13H9N5O6/c1-16(5-4-14)13(20)8-3-2-7-9(17(21)22)6-10(18(23)24)12(19)11(7)15-8/h2-3,6,19H,5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.09E+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 Mixed inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-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))	BDBM50460499 (CHEMBL4227299) Show SMILES CN(CC#N)C(=O)c1ccc2c(cc(c(O)c2n1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C13H9N5O6/c1-16(5-4-14)13(20)8-3-2-7-9(17(21)22)6-10(18(23)24)12(19)11(7)15-8/h2-3,6,19H,5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.22E+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 Mixed inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-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))	BDBM50460499 (CHEMBL4227299) Show SMILES CN(CC#N)C(=O)c1ccc2c(cc(c(O)c2n1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C13H9N5O6/c1-16(5-4-14)13(20)8-3-2-7-9(17(21)22)6-10(18(23)24)12(19)11(7)15-8/h2-3,6,19H,5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.57E+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 Mixed inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Abz-Gly-Il...				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))	BDBM50460499 (CHEMBL4227299) Show SMILES CN(CC#N)C(=O)c1ccc2c(cc(c(O)c2n1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C13H9N5O6/c1-16(5-4-14)13(20)8-3-2-7-9(17(21)22)6-10(18(23)24)12(19)11(7)15-8/h2-3,6,19H,5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.41E+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 Mixed inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Z-Arg-Arg...				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