BDBM50460485 CHEMBL4228583

SMILES: Oc1ccc([N+]([O-])=O)c2ccc(nc12)C(=O)NC1(CC1)C#N

InChI Key: InChIKey=DSTGJYNMVIWQMO-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 = 50460485   

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))	BDBM50460485 (CHEMBL4228583) Show SMILES Oc1ccc([N+]([O-])=O)c2ccc(nc12)C(=O)NC1(CC1)C#N Show InChI InChI=1S/C14H10N4O4/c15-7-14(5-6-14)17-13(20)9-2-1-8-10(18(21)22)3-4-11(19)12(8)16-9/h1-4,19H,5-6H2,(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.60E+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 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))	BDBM50460485 (CHEMBL4228583) Show SMILES Oc1ccc([N+]([O-])=O)c2ccc(nc12)C(=O)NC1(CC1)C#N Show InChI InChI=1S/C14H10N4O4/c15-7-14(5-6-14)17-13(20)9-2-1-8-10(18(21)22)3-4-11(19)12(8)16-9/h1-4,19H,5-6H2,(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.54E+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 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))	BDBM50460485 (CHEMBL4228583) Show SMILES Oc1ccc([N+]([O-])=O)c2ccc(nc12)C(=O)NC1(CC1)C#N Show InChI InChI=1S/C14H10N4O4/c15-7-14(5-6-14)17-13(20)9-2-1-8-10(18(21)22)3-4-11(19)12(8)16-9/h1-4,19H,5-6H2,(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.54E+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 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))	BDBM50460485 (CHEMBL4228583) Show SMILES Oc1ccc([N+]([O-])=O)c2ccc(nc12)C(=O)NC1(CC1)C#N Show InChI InChI=1S/C14H10N4O4/c15-7-14(5-6-14)17-13(20)9-2-1-8-10(18(21)22)3-4-11(19)12(8)16-9/h1-4,19H,5-6H2,(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.57E+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 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