BDBM50468724 CHEMBL4294334

SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCC1CCCCC1)C(O)=O

InChI Key: InChIKey=NHGHQGULMGPVNX-BADMPUJESA-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 = 50468724   

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
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50468724 (CHEMBL4294334) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCC1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C27H43N3O8/c1-16(2)14-18(28-26(36)38-27(3,4)5)22(31)29-13-9-12-19(29)23(32)30-20(24(33)34)21(30)25(35)37-15-17-10-7-6-8-11-17/h16-21H,6-15H2,1-5H3,(H,28,36)(H,33,34)/t18-,19+,20?,21?,30?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Z-Phe-Arg-AMC as substrate by fluorometric assay				Eur J Med Chem 156: 587-597 (2018) Article DOI: 10.1016/j.ejmech.2018.07.012 BindingDB Entry DOI: 10.7270/Q2CN76MS
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50468724 (CHEMBL4294334) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCC1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C27H43N3O8/c1-16(2)14-18(28-26(36)38-27(3,4)5)22(31)29-13-9-12-19(29)23(32)30-20(24(33)34)21(30)25(35)37-15-17-10-7-6-8-11-17/h16-21H,6-15H2,1-5H3,(H,28,36)(H,33,34)/t18-,19+,20?,21?,30?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain 2 using Z-Phe-Arg-AMC as substrate by fluorometric assay				Eur J Med Chem 156: 587-597 (2018) Article DOI: 10.1016/j.ejmech.2018.07.012 BindingDB Entry DOI: 10.7270/Q2CN76MS
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50468724 (CHEMBL4294334) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCC1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C27H43N3O8/c1-16(2)14-18(28-26(36)38-27(3,4)5)22(31)29-13-9-12-19(29)23(32)30-20(24(33)34)21(30)25(35)37-15-17-10-7-6-8-11-17/h16-21H,6-15H2,1-5H3,(H,28,36)(H,33,34)/t18-,19+,20?,21?,30?/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain using Z-Phe-Arg-AMC as substrate by fluorometric assay				Eur J Med Chem 156: 587-597 (2018) Article DOI: 10.1016/j.ejmech.2018.07.012 BindingDB Entry DOI: 10.7270/Q2CN76MS
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50468724 (CHEMBL4294334) Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCC1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C27H43N3O8/c1-16(2)14-18(28-26(36)38-27(3,4)5)22(31)29-13-9-12-19(29)23(32)30-20(24(33)34)21(30)25(35)37-15-17-10-7-6-8-11-17/h16-21H,6-15H2,1-5H3,(H,28,36)(H,33,34)/t18-,19+,20?,21?,30?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johannes Gutenberg-Universit£t Mainz Curated by ChEMBL					Assay Description Inhibition of human cathepsin-L using Z-Phe-Arg-AMC as substrate by fluorometric assay				Eur J Med Chem 156: 587-597 (2018) Article DOI: 10.1016/j.ejmech.2018.07.012 BindingDB Entry DOI: 10.7270/Q2CN76MS
					More data for this Ligand-Target Pair