BDBM50374293 CHEMBL211050

SMILES: CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccccc1

InChI Key: InChIKey=IVMAUBHAANPYCK-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 = 50374293   

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))	BDBM50374293 (CHEMBL211050) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C28H29F3N4O5/c1-2-9-21(22(36)25-35-34-24(39-25)19-10-5-3-6-11-19)32-26(38)27(16-7-4-8-17-27)33-23(37)18-12-14-20(15-13-18)40-28(29,30)31/h3,5-6,10-15,21H,2,4,7-9,16-17H2,1H3,(H,32,38)(H,33,37)/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	29	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 K (Homo sapiens (Human))	BDBM50374293 (CHEMBL211050) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C28H29F3N4O5/c1-2-9-21(22(36)25-35-34-24(39-25)19-10-5-3-6-11-19)32-26(38)27(16-7-4-8-17-27)33-23(37)18-12-14-20(15-13-18)40-28(29,30)31/h3,5-6,10-15,21H,2,4,7-9,16-17H2,1H3,(H,32,38)(H,33,37)/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	29	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
Procathepsin L (Homo sapiens (Human))	BDBM50374293 (CHEMBL211050) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C28H29F3N4O5/c1-2-9-21(22(36)25-35-34-24(39-25)19-10-5-3-6-11-19)32-26(38)27(16-7-4-8-17-27)33-23(37)18-12-14-20(15-13-18)40-28(29,30)31/h3,5-6,10-15,21H,2,4,7-9,16-17H2,1H3,(H,32,38)(H,33,37)/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	1.90E+4	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
Procathepsin L (Homo sapiens (Human))	BDBM50374293 (CHEMBL211050) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C28H29F3N4O5/c1-2-9-21(22(36)25-35-34-24(39-25)19-10-5-3-6-11-19)32-26(38)27(16-7-4-8-17-27)33-23(37)18-12-14-20(15-13-18)40-28(29,30)31/h3,5-6,10-15,21H,2,4,7-9,16-17H2,1H3,(H,32,38)(H,33,37)/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	1.90E+4	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
Cathepsin S (Homo sapiens (Human))	BDBM50374293 (CHEMBL211050) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C28H29F3N4O5/c1-2-9-21(22(36)25-35-34-24(39-25)19-10-5-3-6-11-19)32-26(38)27(16-7-4-8-17-27)33-23(37)18-12-14-20(15-13-18)40-28(29,30)31/h3,5-6,10-15,21H,2,4,7-9,16-17H2,1H3,(H,32,38)(H,33,37)/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	4.50E+4	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
Cathepsin S (Homo sapiens (Human))	BDBM50374293 (CHEMBL211050) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C28H29F3N4O5/c1-2-9-21(22(36)25-35-34-24(39-25)19-10-5-3-6-11-19)32-26(38)27(16-7-4-8-17-27)33-23(37)18-12-14-20(15-13-18)40-28(29,30)31/h3,5-6,10-15,21H,2,4,7-9,16-17H2,1H3,(H,32,38)(H,33,37)/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	4.50E+4	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 B (Homo sapiens (Human))	BDBM50374293 (CHEMBL211050) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C28H29F3N4O5/c1-2-9-21(22(36)25-35-34-24(39-25)19-10-5-3-6-11-19)32-26(38)27(16-7-4-8-17-27)33-23(37)18-12-14-20(15-13-18)40-28(29,30)31/h3,5-6,10-15,21H,2,4,7-9,16-17H2,1H3,(H,32,38)(H,33,37)/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	7.30E+4	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
Cathepsin B (Homo sapiens (Human))	BDBM50374293 (CHEMBL211050) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C28H29F3N4O5/c1-2-9-21(22(36)25-35-34-24(39-25)19-10-5-3-6-11-19)32-26(38)27(16-7-4-8-17-27)33-23(37)18-12-14-20(15-13-18)40-28(29,30)31/h3,5-6,10-15,21H,2,4,7-9,16-17H2,1H3,(H,32,38)(H,33,37)/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	7.30E+4	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