BDBM50263578 CHEMBL4064172

SMILES: Clc1cc2C[C@H](NC(=O)c3cc(C4CC4)n(CC\C=C\COc1cc2)n3)C(=O)NC1(CC1)C#N

InChI Key: InChIKey=MGJMPHPLAZFAST-UJXFUWLCSA-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 = 50263578   

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
Procathepsin L (Homo sapiens (Human))	BDBM50263578 (CHEMBL4064172) Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(C4CC4)n(CC\C=C\COc1cc2)n3)C(=O)NC1(CC1)C#N |r,t:19| Show InChI InChI=1S/C25H26ClN5O3/c26-18-12-16-4-7-22(18)34-11-3-1-2-10-31-21(17-5-6-17)14-20(30-31)23(32)28-19(13-16)24(33)29-25(15-27)8-9-25/h1,3-4,7,12,14,17,19H,2,5-6,8-11,13H2,(H,28,32)(H,29,33)/b3-1+/t19-/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	2.5	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
Rhodesain (Trypanosoma brucei rhodesiense)	BDBM50263578 (CHEMBL4064172) Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(C4CC4)n(CC\C=C\COc1cc2)n3)C(=O)NC1(CC1)C#N |r,t:19| Show InChI InChI=1S/C25H26ClN5O3/c26-18-12-16-4-7-22(18)34-11-3-1-2-10-31-21(17-5-6-17)14-20(30-31)23(32)28-19(13-16)24(33)29-25(15-27)8-9-25/h1,3-4,7,12,14,17,19H,2,5-6,8-11,13H2,(H,28,32)(H,29,33)/b3-1+/t19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	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