BDBM50410973 CHEMBL209216

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

InChI Key: InChIKey=CMCVBOBNUPQRNQ-HNNXBMFYSA-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 = 50410973   

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))	BDBM50410973 (CHEMBL209216) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)OC(C)(C)C)C(=O)c1nnc(o1)-c1ccco1 Show InChI InChI=1S/C23H32N4O6/c1-5-10-15(17(28)19-27-26-18(32-19)16-11-9-14-31-16)24-20(29)23(12-7-6-8-13-23)25-21(30)33-22(2,3)4/h9,11,14-15H,5-8,10,12-13H2,1-4H3,(H,24,29)(H,25,30)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	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 S (Homo sapiens (Human))	BDBM50410973 (CHEMBL209216) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)OC(C)(C)C)C(=O)c1nnc(o1)-c1ccco1 Show InChI InChI=1S/C23H32N4O6/c1-5-10-15(17(28)19-27-26-18(32-19)16-11-9-14-31-16)24-20(29)23(12-7-6-8-13-23)25-21(30)33-22(2,3)4/h9,11,14-15H,5-8,10,12-13H2,1-4H3,(H,24,29)(H,25,30)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	960	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))	BDBM50410973 (CHEMBL209216) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)OC(C)(C)C)C(=O)c1nnc(o1)-c1ccco1 Show InChI InChI=1S/C23H32N4O6/c1-5-10-15(17(28)19-27-26-18(32-19)16-11-9-14-31-16)24-20(29)23(12-7-6-8-13-23)25-21(30)33-22(2,3)4/h9,11,14-15H,5-8,10,12-13H2,1-4H3,(H,24,29)(H,25,30)/t15-/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+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))	BDBM50410973 (CHEMBL209216) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)OC(C)(C)C)C(=O)c1nnc(o1)-c1ccco1 Show InChI InChI=1S/C23H32N4O6/c1-5-10-15(17(28)19-27-26-18(32-19)16-11-9-14-31-16)24-20(29)23(12-7-6-8-13-23)25-21(30)33-22(2,3)4/h9,11,14-15H,5-8,10,12-13H2,1-4H3,(H,24,29)(H,25,30)/t15-/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	1.80E+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