BDBM50168948 CHEMBL3805093

SMILES: OC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1

InChI Key: InChIKey=XIICSQSWOYKKRN-VPUSJEBWSA-N

Data: 6 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 6 hits for monomerid = 50168948   

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))	BDBM50168948 (CHEMBL3805093) Show SMILES OC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r| Show InChI InChI=1S/C30H27BrN6O5/c31-24-8-4-5-20(13-24)14-27(34-29(40)23-11-9-22(10-12-23)21-6-2-1-3-7-21)30(41)33-25(15-32)18-42-19-26-16-37(36-35-26)17-28(38)39/h1-13,16,25,27H,14,17-19H2,(H,33,41)(H,34,40)(H,38,39)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH as substrate at pH 4.5 incubated for 30 mins measured for 10 mins by ...				ACS Med Chem Lett 7: 211-6 (2016) BindingDB Entry DOI: 10.7270/Q2TH8PMM
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50168948 (CHEMBL3805093) Show SMILES OC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r| Show InChI InChI=1S/C30H27BrN6O5/c31-24-8-4-5-20(13-24)14-27(34-29(40)23-11-9-22(10-12-23)21-6-2-1-3-7-21)30(41)33-25(15-32)18-42-19-26-16-37(36-35-26)17-28(38)39/h1-13,16,25,27H,14,17-19H2,(H,33,41)(H,34,40)(H,38,39)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 4.5 incubated for 30 mins measured for 20 mins by photometrical analys...				ACS Med Chem Lett 7: 211-6 (2016) BindingDB Entry DOI: 10.7270/Q2TH8PMM
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50168948 (CHEMBL3805093) Show SMILES OC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r| Show InChI InChI=1S/C30H27BrN6O5/c31-24-8-4-5-20(13-24)14-27(34-29(40)23-11-9-22(10-12-23)21-6-2-1-3-7-21)30(41)33-25(15-32)18-42-19-26-16-37(36-35-26)17-28(38)39/h1-13,16,25,27H,14,17-19H2,(H,33,41)(H,34,40)(H,38,39)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis				ACS Med Chem Lett 7: 211-6 (2016) BindingDB Entry DOI: 10.7270/Q2TH8PMM
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50168948 (CHEMBL3805093) Show SMILES OC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r| Show InChI InChI=1S/C30H27BrN6O5/c31-24-8-4-5-20(13-24)14-27(34-29(40)23-11-9-22(10-12-23)21-6-2-1-3-7-21)30(41)33-25(15-32)18-42-19-26-16-37(36-35-26)17-28(38)39/h1-13,16,25,27H,14,17-19H2,(H,33,41)(H,34,40)(H,38,39)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	335	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K using Cbz-Leu-Arg-AMC as substrate incubated for 30 mins measured for 20 mins by spectrofluorometrical an...				ACS Med Chem Lett 7: 211-6 (2016) BindingDB Entry DOI: 10.7270/Q2TH8PMM
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50168948 (CHEMBL3805093) Show SMILES OC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r| Show InChI InChI=1S/C30H27BrN6O5/c31-24-8-4-5-20(13-24)14-27(34-29(40)23-11-9-22(10-12-23)21-6-2-1-3-7-21)30(41)33-25(15-32)18-42-19-26-16-37(36-35-26)17-28(38)39/h1-13,16,25,27H,14,17-19H2,(H,33,41)(H,34,40)(H,38,39)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	352	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S using Cbz-Phe-Arg-AMC as substrate incubated for 60 mins measured for 20 mins by spectrofluorometrical an...				ACS Med Chem Lett 7: 211-6 (2016) BindingDB Entry DOI: 10.7270/Q2TH8PMM
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50168948 (CHEMBL3805093) Show SMILES OC(=O)Cn1cc(COC[C@H](NC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)c2ccc(cc2)-c2ccccc2)C#N)nn1 |r| Show InChI InChI=1S/C30H27BrN6O5/c31-24-8-4-5-20(13-24)14-27(34-29(40)23-11-9-22(10-12-23)21-6-2-1-3-7-21)30(41)33-25(15-32)18-42-19-26-16-37(36-35-26)17-28(38)39/h1-13,16,25,27H,14,17-19H2,(H,33,41)(H,34,40)(H,38,39)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin L using Cbz-Phe-Arg-pNA as substrate incubated for 30 mins measured for 20 mins by photometrical analysis				ACS Med Chem Lett 7: 211-6 (2016) BindingDB Entry DOI: 10.7270/Q2TH8PMM
					More data for this Ligand-Target Pair