BDBM50374292 CHEMBL208566

SMILES: CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=TYUNJJSHOCWVMW-NRFANRHFSA-N

Data: 8 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 8 hits for monomerid = 50374292   

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))	BDBM50374292 (CHEMBL208566) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C29H28F6N4O5/c1-2-7-21(22(40)25-39-38-24(43-25)18-8-6-9-19(16-18)28(30,31)32)36-26(42)27(14-4-3-5-15-27)37-23(41)17-10-12-20(13-11-17)44-29(33,34)35/h6,8-13,16,21H,2-5,7,14-15H2,1H3,(H,36,42)(H,37,41)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics, Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 16: 2909-14 (2006) Article DOI: 10.1016/j.bmcl.2006.03.001 BindingDB Entry DOI: 10.7270/Q2QN6808
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50374292 (CHEMBL208566) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C29H28F6N4O5/c1-2-7-21(22(40)25-39-38-24(43-25)18-8-6-9-19(16-18)28(30,31)32)36-26(42)27(14-4-3-5-15-27)37-23(41)17-10-12-20(13-11-17)44-29(33,34)35/h6,8-13,16,21H,2-5,7,14-15H2,1H3,(H,36,42)(H,37,41)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50374292 (CHEMBL208566) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C29H28F6N4O5/c1-2-7-21(22(40)25-39-38-24(43-25)18-8-6-9-19(16-18)28(30,31)32)36-26(42)27(14-4-3-5-15-27)37-23(41)17-10-12-20(13-11-17)44-29(33,34)35/h6,8-13,16,21H,2-5,7,14-15H2,1H3,(H,36,42)(H,37,41)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50374292 (CHEMBL208566) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C29H28F6N4O5/c1-2-7-21(22(40)25-39-38-24(43-25)18-8-6-9-19(16-18)28(30,31)32)36-26(42)27(14-4-3-5-15-27)37-23(41)17-10-12-20(13-11-17)44-29(33,34)35/h6,8-13,16,21H,2-5,7,14-15H2,1H3,(H,36,42)(H,37,41)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics, Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				Bioorg Med Chem Lett 16: 2909-14 (2006) Article DOI: 10.1016/j.bmcl.2006.03.001 BindingDB Entry DOI: 10.7270/Q2QN6808
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50374292 (CHEMBL208566) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C29H28F6N4O5/c1-2-7-21(22(40)25-39-38-24(43-25)18-8-6-9-19(16-18)28(30,31)32)36-26(42)27(14-4-3-5-15-27)37-23(41)17-10-12-20(13-11-17)44-29(33,34)35/h6,8-13,16,21H,2-5,7,14-15H2,1H3,(H,36,42)(H,37,41)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50374292 (CHEMBL208566) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C29H28F6N4O5/c1-2-7-21(22(40)25-39-38-24(43-25)18-8-6-9-19(16-18)28(30,31)32)36-26(42)27(14-4-3-5-15-27)37-23(41)17-10-12-20(13-11-17)44-29(33,34)35/h6,8-13,16,21H,2-5,7,14-15H2,1H3,(H,36,42)(H,37,41)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics, Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 16: 2909-14 (2006) Article DOI: 10.1016/j.bmcl.2006.03.001 BindingDB Entry DOI: 10.7270/Q2QN6808
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50374292 (CHEMBL208566) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C29H28F6N4O5/c1-2-7-21(22(40)25-39-38-24(43-25)18-8-6-9-19(16-18)28(30,31)32)36-26(42)27(14-4-3-5-15-27)37-23(41)17-10-12-20(13-11-17)44-29(33,34)35/h6,8-13,16,21H,2-5,7,14-15H2,1H3,(H,36,42)(H,37,41)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics, Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 16: 2909-14 (2006) Article DOI: 10.1016/j.bmcl.2006.03.001 BindingDB Entry DOI: 10.7270/Q2QN6808
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50374292 (CHEMBL208566) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C29H28F6N4O5/c1-2-7-21(22(40)25-39-38-24(43-25)18-8-6-9-19(16-18)28(30,31)32)36-26(42)27(14-4-3-5-15-27)37-23(41)17-10-12-20(13-11-17)44-29(33,34)35/h6,8-13,16,21H,2-5,7,14-15H2,1H3,(H,36,42)(H,37,41)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair