BDBM50460483 CHEMBL4228186

SMILES: Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)N(CC#N)Cc1ccccc1

InChI Key: InChIKey=WQIVRKSDUXZLRE-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50460483   

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))	BDBM50460483 (CHEMBL4228186) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)N(CC#N)Cc1ccccc1 Show InChI InChI=1S/C19H14N4O4/c20-8-10-22(12-13-5-2-1-3-6-13)19(25)15-11-16(23(26)27)14-7-4-9-21-17(14)18(15)24/h1-7,9,11,24H,10,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 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))	BDBM50460483 (CHEMBL4228186) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)N(CC#N)Cc1ccccc1 Show InChI InChI=1S/C19H14N4O4/c20-8-10-22(12-13-5-2-1-3-6-13)19(25)15-11-16(23(26)27)14-7-4-9-21-17(14)18(15)24/h1-7,9,11,24H,10,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.40E+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))	BDBM50460483 (CHEMBL4228186) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)N(CC#N)Cc1ccccc1 Show InChI InChI=1S/C19H14N4O4/c20-8-10-22(12-13-5-2-1-3-6-13)19(25)15-11-16(23(26)27)14-7-4-9-21-17(14)18(15)24/h1-7,9,11,24H,10,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.32E+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 recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Z-A...				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))	BDBM50460483 (CHEMBL4228186) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)N(CC#N)Cc1ccccc1 Show InChI InChI=1S/C19H14N4O4/c20-8-10-22(12-13-5-2-1-3-6-13)19(25)15-11-16(23(26)27)14-7-4-9-21-17(14)18(15)24/h1-7,9,11,24H,10,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 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
Cathepsin B (Homo sapiens (Human))	BDBM50460483 (CHEMBL4228186) Show SMILES Oc1c(cc([N+]([O-])=O)c2cccnc12)C(=O)N(CC#N)Cc1ccccc1 Show InChI InChI=1S/C19H14N4O4/c20-8-10-22(12-13-5-2-1-3-6-13)19(25)15-11-16(23(26)27)14-7-4-9-21-17(14)18(15)24/h1-7,9,11,24H,10,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.85E+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