BDBM50173401 1-[2,2,2-Trifluoro-1-(4'-piperazin-1-yl-biphenyl-4-yl)-ethylamino]-cyclohexanecarboxylic acid cyanomethyl-amide::CHEMBL194914

SMILES: FC(F)(F)C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1ccc(cc1)N1CCNCC1

InChI Key: InChIKey=BWTADDUGYRQSQU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50173401   

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
Procathepsin L (Homo sapiens (Human))	BDBM50173401 (1-[2,2,2-Trifluoro-1-(4'-piperazin-1-yl-biphenyl-4...) Show SMILES FC(F)(F)C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C27H32F3N5O/c28-27(29,30)24(34-26(12-2-1-3-13-26)25(36)33-15-14-31)22-6-4-20(5-7-22)21-8-10-23(11-9-21)35-18-16-32-17-19-35/h4-11,24,32,34H,1-3,12-13,15-19H2,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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 against cathepsin L from human				Bioorg Med Chem Lett 15: 4741-4 (2005) Article DOI: 10.1016/j.bmcl.2005.07.071 BindingDB Entry DOI: 10.7270/Q20001NJ
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50173401 (1-[2,2,2-Trifluoro-1-(4'-piperazin-1-yl-biphenyl-4...) Show SMILES FC(F)(F)C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C27H32F3N5O/c28-27(29,30)24(34-26(12-2-1-3-13-26)25(36)33-15-14-31)22-6-4-20(5-7-22)21-8-10-23(11-9-21)35-18-16-32-17-19-35/h4-11,24,32,34H,1-3,12-13,15-19H2,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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 against cathepsin S from human				Bioorg Med Chem Lett 15: 4741-4 (2005) Article DOI: 10.1016/j.bmcl.2005.07.071 BindingDB Entry DOI: 10.7270/Q20001NJ
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50173401 (1-[2,2,2-Trifluoro-1-(4'-piperazin-1-yl-biphenyl-4...) Show SMILES FC(F)(F)C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C27H32F3N5O/c28-27(29,30)24(34-26(12-2-1-3-13-26)25(36)33-15-14-31)22-6-4-20(5-7-22)21-8-10-23(11-9-21)35-18-16-32-17-19-35/h4-11,24,32,34H,1-3,12-13,15-19H2,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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 against cathepsin B from human				Bioorg Med Chem Lett 15: 4741-4 (2005) Article DOI: 10.1016/j.bmcl.2005.07.071 BindingDB Entry DOI: 10.7270/Q20001NJ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50173401 (1-[2,2,2-Trifluoro-1-(4'-piperazin-1-yl-biphenyl-4...) Show SMILES FC(F)(F)C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C27H32F3N5O/c28-27(29,30)24(34-26(12-2-1-3-13-26)25(36)33-15-14-31)22-6-4-20(5-7-22)21-8-10-23(11-9-21)35-18-16-32-17-19-35/h4-11,24,32,34H,1-3,12-13,15-19H2,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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 against cathepsin K using humanized rabbit enzyme				Bioorg Med Chem Lett 15: 4741-4 (2005) Article DOI: 10.1016/j.bmcl.2005.07.071 BindingDB Entry DOI: 10.7270/Q20001NJ
					More data for this Ligand-Target Pair