BDBM50425017 CHEMBL2312203

SMILES: Nc1c(Br)cc([N+]([O-])=O)c2ccccc12

InChI Key: InChIKey=LLEDLJCUWYEYLA-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 = 50425017   

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))	BDBM50425017 (CHEMBL2312203) Show SMILES Nc1c(Br)cc([N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C10H7BrN2O2/c11-8-5-9(13(14)15)6-3-1-2-4-7(6)10(8)12/h1-5H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	3.20E+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 human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for en...				J Med Chem 56: 521-33 (2013) Article DOI: 10.1021/jm301544x BindingDB Entry DOI: 10.7270/Q24Q7W9J
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50425017 (CHEMBL2312203) Show SMILES Nc1c(Br)cc([N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C10H7BrN2O2/c11-8-5-9(13(14)15)6-3-1-2-4-7(6)10(8)12/h1-5H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	1.82E+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 Competitive inhibition of human recombinant cathepsin L endopeptidase activity using Z-FR-AMC substrate expressed in Escherichia coli assessed as inh...				J Med Chem 56: 521-33 (2013) Article DOI: 10.1021/jm301544x BindingDB Entry DOI: 10.7270/Q24Q7W9J
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50425017 (CHEMBL2312203) Show SMILES Nc1c(Br)cc([N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C10H7BrN2O2/c11-8-5-9(13(14)15)6-3-1-2-4-7(6)10(8)12/h1-5H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	2.12E+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 Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate				J Med Chem 56: 521-33 (2013) Article DOI: 10.1021/jm301544x BindingDB Entry DOI: 10.7270/Q24Q7W9J
					More data for this Ligand-Target Pair
Pro-cathepsin H (Homo sapiens (Human))	BDBM50425017 (CHEMBL2312203) Show SMILES Nc1c(Br)cc([N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C10H7BrN2O2/c11-8-5-9(13(14)15)6-3-1-2-4-7(6)10(8)12/h1-5H,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	3.54E+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 Uncompetitive inhibition of human liver cathepsin H endopeptidase activity using R-AMC substrate assessed as inhibition constant for enzyme-substrate...				J Med Chem 56: 521-33 (2013) Article DOI: 10.1021/jm301544x BindingDB Entry DOI: 10.7270/Q24Q7W9J
					More data for this Ligand-Target Pair