BDBM50263575 CHEMBL4094394

SMILES: Clc1ccc2n3C\C=C\COc4ccc(C[C@H](NC(=O)c(cc2c1)c3=O)C(=O)NC1(CC1)C#N)cc4Cl

InChI Key: InChIKey=YPTSSADHYSRSLH-BTFLMBNSSA-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 = 50263575   

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))	BDBM50263575 (CHEMBL4094394) Show SMILES Clc1ccc2n3C\C=C\COc4ccc(C[C@H](NC(=O)c(cc2c1)c3=O)C(=O)NC1(CC1)C#N)cc4Cl |r,t:7| Show InChI InChI=1S/C27H22Cl2N4O4/c28-18-4-5-22-17(13-18)14-19-24(34)31-21(25(35)32-27(15-30)7-8-27)12-16-3-6-23(20(29)11-16)37-10-2-1-9-33(22)26(19)36/h1-6,11,13-14,21H,7-10,12H2,(H,31,34)(H,32,35)/b2-1+/t21-/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	274	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)	BDBM50263575 (CHEMBL4094394) Show SMILES Clc1ccc2n3C\C=C\COc4ccc(C[C@H](NC(=O)c(cc2c1)c3=O)C(=O)NC1(CC1)C#N)cc4Cl |r,t:7| Show InChI InChI=1S/C27H22Cl2N4O4/c28-18-4-5-22-17(13-18)14-19-24(34)31-21(25(35)32-27(15-30)7-8-27)12-16-3-6-23(20(29)11-16)37-10-2-1-9-33(22)26(19)36/h1-6,11,13-14,21H,7-10,12H2,(H,31,34)(H,32,35)/b2-1+/t21-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	299	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