BDBM50410971 CHEMBL378899

SMILES: CCC[C@H](NC(=O)C(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)C1(N)CCCCC1)C(=O)c1nnc(o1)-c1ccco1

InChI Key: InChIKey=XQNARHBXPKVMJL-LROBGIAVSA-N

Data: 4 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 4 hits for monomerid = 50410971   

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))	BDBM50410971 (CHEMBL378899) Show SMILES CCC[C@H](NC(=O)C(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)C1(N)CCCCC1)C(=O)c1nnc(o1)-c1ccco1 Show InChI InChI=1S/C28H30F3N5O7/c1-2-7-18(21(37)26-36-35-25(42-26)19-8-6-15-41-19)33-24(40)20(22(38)27(32)13-4-3-5-14-27)34-23(39)16-9-11-17(12-10-16)43-28(29,30)31/h6,8-12,15,18,20H,2-5,7,13-14,32H2,1H3,(H,33,40)(H,34,39)/t18-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<0.25	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 B (Homo sapiens (Human))	BDBM50410971 (CHEMBL378899) Show SMILES CCC[C@H](NC(=O)C(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)C1(N)CCCCC1)C(=O)c1nnc(o1)-c1ccco1 Show InChI InChI=1S/C28H30F3N5O7/c1-2-7-18(21(37)26-36-35-25(42-26)19-8-6-15-41-19)33-24(40)20(22(38)27(32)13-4-3-5-14-27)34-23(39)16-9-11-17(12-10-16)43-28(29,30)31/h6,8-12,15,18,20H,2-5,7,13-14,32H2,1H3,(H,33,40)(H,34,39)/t18-,20?/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	75	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 S (Homo sapiens (Human))	BDBM50410971 (CHEMBL378899) Show SMILES CCC[C@H](NC(=O)C(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)C1(N)CCCCC1)C(=O)c1nnc(o1)-c1ccco1 Show InChI InChI=1S/C28H30F3N5O7/c1-2-7-18(21(37)26-36-35-25(42-26)19-8-6-15-41-19)33-24(40)20(22(38)27(32)13-4-3-5-14-27)34-23(39)16-9-11-17(12-10-16)43-28(29,30)31/h6,8-12,15,18,20H,2-5,7,13-14,32H2,1H3,(H,33,40)(H,34,39)/t18-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	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
Procathepsin L (Homo sapiens (Human))	BDBM50410971 (CHEMBL378899) Show SMILES CCC[C@H](NC(=O)C(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)C1(N)CCCCC1)C(=O)c1nnc(o1)-c1ccco1 Show InChI InChI=1S/C28H30F3N5O7/c1-2-7-18(21(37)26-36-35-25(42-26)19-8-6-15-41-19)33-24(40)20(22(38)27(32)13-4-3-5-14-27)34-23(39)16-9-11-17(12-10-16)43-28(29,30)31/h6,8-12,15,18,20H,2-5,7,13-14,32H2,1H3,(H,33,40)(H,34,39)/t18-,20?/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	1.30E+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 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