BDBM50461257 CHEMBL4228343

SMILES: COc1ccc(CC(NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cn1

InChI Key: InChIKey=XCDSVESMDJKIDL-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50461257   

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))	BDBM50461257 (CHEMBL4228343) Show SMILES COc1ccc(CC(NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cn1 Show InChI InChI=1S/C26H24N4O3/c1-33-23-12-7-18(16-28-23)15-22(25(32)30-26(17-27)13-14-26)29-24(31)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-12,16,22H,13-15H2,1H3,(H,29,31)(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50461257 (CHEMBL4228343) Show SMILES COc1ccc(CC(NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cn1 Show InChI InChI=1S/C26H24N4O3/c1-33-23-12-7-18(16-28-23)15-22(25(32)30-26(17-27)13-14-26)29-24(31)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-12,16,22H,13-15H2,1H3,(H,29,31)(H,30,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50461257 (CHEMBL4228343) Show SMILES COc1ccc(CC(NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cn1 Show InChI InChI=1S/C26H24N4O3/c1-33-23-12-7-18(16-28-23)15-22(25(32)30-26(17-27)13-14-26)29-24(31)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-12,16,22H,13-15H2,1H3,(H,29,31)(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50461257 (CHEMBL4228343) Show SMILES COc1ccc(CC(NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cn1 Show InChI InChI=1S/C26H24N4O3/c1-33-23-12-7-18(16-28-23)15-22(25(32)30-26(17-27)13-14-26)29-24(31)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-12,16,22H,13-15H2,1H3,(H,29,31)(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50461257 (CHEMBL4228343) Show SMILES COc1ccc(CC(NC(=O)c2ccc(cc2)-c2ccccc2)C(=O)NC2(CC2)C#N)cn1 Show InChI InChI=1S/C26H24N4O3/c1-33-23-12-7-18(16-28-23)15-22(25(32)30-26(17-27)13-14-26)29-24(31)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h2-12,16,22H,13-15H2,1H3,(H,29,31)(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
IRBM Science Park Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 28: 1540-1544 (2018) Article DOI: 10.1016/j.bmcl.2018.03.069 BindingDB Entry DOI: 10.7270/Q2G44SW1
					More data for this Ligand-Target Pair