BDBM50502834 CHEMBL4442543

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC1(CC1)C#N

InChI Key: InChIKey=CIHXWBMSCJPIFY-AWEZNQCLSA-N

Data: 2 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 = 50502834   

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
Procathepsin L (Homo sapiens (Human))	BDBM50502834 (CHEMBL4442543) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C17H21N3O2/c1-12(2)10-14(16(22)20-17(11-18)8-9-17)19-15(21)13-6-4-3-5-7-13/h3-7,12,14H,8-10H2,1-2H3,(H,19,21)(H,20,22)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50502834 (CHEMBL4442543) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C17H21N3O2/c1-12(2)10-14(16(22)20-17(11-18)8-9-17)19-15(21)13-6-4-3-5-7-13/h3-7,12,14H,8-10H2,1-2H3,(H,19,21)(H,20,22)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Cathepsin L (unknown origin) using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate additi...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502834 (CHEMBL4442543) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C17H21N3O2/c1-12(2)10-14(16(22)20-17(11-18)8-9-17)19-15(21)13-6-4-3-5-7-13/h3-7,12,14H,8-10H2,1-2H3,(H,19,21)(H,20,22)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502834 (CHEMBL4442543) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C17H21N3O2/c1-12(2)10-14(16(22)20-17(11-18)8-9-17)19-15(21)13-6-4-3-5-7-13/h3-7,12,14H,8-10H2,1-2H3,(H,19,21)(H,20,22)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de S£o Paulo Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-methylcoumarin as substrate preincubated for 2 mins followed by susbtrate addition ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115083
					More data for this Ligand-Target Pair