BDBM50095493 CHEMBL276169::N-(1-Cyano-azetidin-3-ylmethyl)-benzenesulfonamide

SMILES: O=S(=O)(NCC1CN(C1)C#N)c1ccccc1

InChI Key: InChIKey=UIOWYXXRERXCMP-UHFFFAOYSA-N

Data: 1 KI  5 IC50

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 6 hits for monomerid = 50095493   

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 K (Homo sapiens (Human))	BDBM50095493 (CHEMBL276169 | N-(1-Cyano-azetidin-3-ylmethyl)-ben...) Show SMILES O=S(=O)(NCC1CN(C1)C#N)c1ccccc1 Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-10(8-14)6-13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory constant of the compound against human cathepsin K				J Med Chem 44: 94-104 (2001) BindingDB Entry DOI: 10.7270/Q2DV1J4R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50095493 (CHEMBL276169 | N-(1-Cyano-azetidin-3-ylmethyl)-ben...) Show SMILES O=S(=O)(NCC1CN(C1)C#N)c1ccccc1 Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-10(8-14)6-13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of recombinant human Cathepsin K using Z-Phe-Arg-pNA as substrate preincubated with enzyme for 90 mins followed by substrate addition by f...				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50095493 (CHEMBL276169 | N-(1-Cyano-azetidin-3-ylmethyl)-ben...) Show SMILES O=S(=O)(NCC1CN(C1)C#N)c1ccccc1 Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-10(8-14)6-13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory constant of the compound against human cathepsin K				J Med Chem 44: 94-104 (2001) BindingDB Entry DOI: 10.7270/Q2DV1J4R
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50095493 (CHEMBL276169 | N-(1-Cyano-azetidin-3-ylmethyl)-ben...) Show SMILES O=S(=O)(NCC1CN(C1)C#N)c1ccccc1 Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-10(8-14)6-13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity tested against Human Cathepsin B using Z-Phe-Arg-pNA as substrate				J Med Chem 44: 94-104 (2001) BindingDB Entry DOI: 10.7270/Q2DV1J4R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50095493 (CHEMBL276169 | N-(1-Cyano-azetidin-3-ylmethyl)-ben...) Show SMILES O=S(=O)(NCC1CN(C1)C#N)c1ccccc1 Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-10(8-14)6-13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate				J Med Chem 44: 94-104 (2001) BindingDB Entry DOI: 10.7270/Q2DV1J4R
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50095493 (CHEMBL276169 | N-(1-Cyano-azetidin-3-ylmethyl)-ben...) Show SMILES O=S(=O)(NCC1CN(C1)C#N)c1ccccc1 Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-10(8-14)6-13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity tested against Human Cathepsin L using Z-Phe-Arg-pNA as substrate				J Med Chem 44: 94-104 (2001) BindingDB Entry DOI: 10.7270/Q2DV1J4R
					More data for this Ligand-Target Pair