BDBM50460505 CHEMBL4227143

SMILES: COCCCOc1cc(ccc1OC)-c1ccc([N+]([O-])=O)c2cccnc12

InChI Key: InChIKey=LWTHWDMPWIUYMO-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 = 50460505   

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))	BDBM50460505 (CHEMBL4227143) Show SMILES COCCCOc1cc(ccc1OC)-c1ccc([N+]([O-])=O)c2cccnc12 Show InChI InChI=1S/C20H20N2O5/c1-25-11-4-12-27-19-13-14(6-9-18(19)26-2)15-7-8-17(22(23)24)16-5-3-10-21-20(15)16/h3,5-10,13H,4,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+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 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))	BDBM50460505 (CHEMBL4227143) Show SMILES COCCCOc1cc(ccc1OC)-c1ccc([N+]([O-])=O)c2cccnc12 Show InChI InChI=1S/C20H20N2O5/c1-25-11-4-12-27-19-13-14(6-9-18(19)26-2)15-7-8-17(22(23)24)16-5-3-10-21-20(15)16/h3,5-10,13H,4,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.18E+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))	BDBM50460505 (CHEMBL4227143) Show SMILES COCCCOc1cc(ccc1OC)-c1ccc([N+]([O-])=O)c2cccnc12 Show InChI InChI=1S/C20H20N2O5/c1-25-11-4-12-27-19-13-14(6-9-18(19)26-2)15-7-8-17(22(23)24)16-5-3-10-21-20(15)16/h3,5-10,13H,4,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.23E+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))	BDBM50460505 (CHEMBL4227143) Show SMILES COCCCOc1cc(ccc1OC)-c1ccc([N+]([O-])=O)c2cccnc12 Show InChI InChI=1S/C20H20N2O5/c1-25-11-4-12-27-19-13-14(6-9-18(19)26-2)15-7-8-17(22(23)24)16-5-3-10-21-20(15)16/h3,5-10,13H,4,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.23E+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