BDBM50201256 CHEMBL3902105

SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C(/C)[N+]([O-])=O

InChI Key: InChIKey=KFYDVJKZUGQPIC-GZHMMJFJSA-N

Data: 3 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 3 hits for monomerid = 50201256   

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)	BDBM50201256 (CHEMBL3902105) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C(/C)[N+]([O-])=O |r| Show InChI InChI=1S/C19H27N3O5/c1-13(2)10-17(18(23)20-14(3)11-15(4)22(25)26)21-19(24)27-12-16-8-6-5-7-9-16/h5-9,11,13-14,17H,10,12H2,1-4H3,(H,20,23)(H,21,24)/b15-11+/t14-,17-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	544	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 15 to 30 mins by fluores...				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50201256 (CHEMBL3902105) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C(/C)[N+]([O-])=O |r| Show InChI InChI=1S/C19H27N3O5/c1-13(2)10-17(18(23)20-14(3)11-15(4)22(25)26)21-19(24)27-12-16-8-6-5-7-9-16/h5-9,11,13-14,17H,10,12H2,1-4H3,(H,20,23)(H,21,24)/b15-11+/t14-,17-/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	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50201256 (CHEMBL3902105) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C(/C)[N+]([O-])=O |r| Show InChI InChI=1S/C19H27N3O5/c1-13(2)10-17(18(23)20-14(3)11-15(4)22(25)26)21-19(24)27-12-16-8-6-5-7-9-16/h5-9,11,13-14,17H,10,12H2,1-4H3,(H,20,23)(H,21,24)/b15-11+/t14-,17-/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	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jaume I Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				ACS Med Chem Lett 7: 1073-1076 (2016) Article DOI: 10.1021/acsmedchemlett.6b00276 BindingDB Entry DOI: 10.7270/Q2M32XR1
					More data for this Ligand-Target Pair