BDBM50201258 CHEMBL3893138

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

InChI Key: InChIKey=XMBJUJIJDVFEFD-WQHODERWSA-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 = 50201258   

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)	BDBM50201258 (CHEMBL3893138) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-22(26-24(29)32-17-20-11-7-4-8-12-20)23(28)25-21(13-14-27(30)31)16-19-9-5-3-6-10-19/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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
Cruzipain (Trypanosoma cruzi)	BDBM50201258 (CHEMBL3893138) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-22(26-24(29)32-17-20-11-7-4-8-12-20)23(28)25-21(13-14-27(30)31)16-19-9-5-3-6-10-19/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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 cruzi cruzain				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))	BDBM50201258 (CHEMBL3893138) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-22(26-24(29)32-17-20-11-7-4-8-12-20)23(28)25-21(13-14-27(30)31)16-19-9-5-3-6-10-19/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/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	49	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))	BDBM50201258 (CHEMBL3893138) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\[N+]([O-])=O |r| Show InChI InChI=1S/C24H29N3O5/c1-18(2)15-22(26-24(29)32-17-20-11-7-4-8-12-20)23(28)25-21(13-14-27(30)31)16-19-9-5-3-6-10-19/h3-14,18,21-22H,15-17H2,1-2H3,(H,25,28)(H,26,29)/b14-13+/t21-,22+/m1/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	710	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