BDBM50201257 CHEMBL3912190

SMILES: C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C(/C)[N+]([O-])=O

InChI Key: InChIKey=UKMQUUMHKOPROJ-GPCYYHMHSA-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 = 50201257   

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)	BDBM50201257 (CHEMBL3912190) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C(/C)[N+]([O-])=O |r| Show InChI InChI=1S/C22H25N3O5/c1-16(13-17(2)25(28)29)23-21(26)20(14-18-9-5-3-6-10-18)24-22(27)30-15-19-11-7-4-8-12-19/h3-13,16,20H,14-15H2,1-2H3,(H,23,26)(H,24,27)/b17-13+/t16-,20-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	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))	BDBM50201257 (CHEMBL3912190) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C(/C)[N+]([O-])=O |r| Show InChI InChI=1S/C22H25N3O5/c1-16(13-17(2)25(28)29)23-21(26)20(14-18-9-5-3-6-10-18)24-22(27)30-15-19-11-7-4-8-12-19/h3-13,16,20H,14-15H2,1-2H3,(H,23,26)(H,24,27)/b17-13+/t16-,20-/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	280	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))	BDBM50201257 (CHEMBL3912190) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C(/C)[N+]([O-])=O |r| Show InChI InChI=1S/C22H25N3O5/c1-16(13-17(2)25(28)29)23-21(26)20(14-18-9-5-3-6-10-18)24-22(27)30-15-19-11-7-4-8-12-19/h3-13,16,20H,14-15H2,1-2H3,(H,23,26)(H,24,27)/b17-13+/t16-,20-/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	6.30E+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