BDBM50263570 CHEMBL4066422

SMILES: Clc1cc2C[C@H](NC(=O)c3cc4ccccc4cc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N

InChI Key: InChIKey=CXLLDJUTVUHIOR-CRTIWDKESA-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 2 hits for monomerid = 50263570   

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)	BDBM50263570 (CHEMBL4066422) Show SMILES Clc1cc2C[C@H](NC(=O)c3cc4ccccc4cc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:23| Show InChI InChI=1S/C28H24ClN3O4/c29-22-13-18-7-8-24(22)35-11-3-4-12-36-25-16-20-6-2-1-5-19(20)15-21(25)26(33)31-23(14-18)27(34)32-28(17-30)9-10-28/h1-8,13,15-16,23H,9-12,14H2,(H,31,33)(H,32,34)/b4-3+/t23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263570 (CHEMBL4066422) Show SMILES Clc1cc2C[C@H](NC(=O)c3cc4ccccc4cc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:23| Show InChI InChI=1S/C28H24ClN3O4/c29-22-13-18-7-8-24(22)35-11-3-4-12-36-25-16-20-6-2-1-5-19(20)15-21(25)26(33)31-23(14-18)27(34)32-28(17-30)9-10-28/h1-8,13,15-16,23H,9-12,14H2,(H,31,33)(H,32,34)/b4-3+/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair