BDBM50031697 CHEMBL3360290

SMILES: CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(=O)N1CCOCC1

InChI Key: InChIKey=JIEVVIHBXXJQCJ-CVJWPJSTSA-N

Data: 2 IC50

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 = 50031697   

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
Cathepsin B (Homo sapiens (Human))	BDBM50031697 (CHEMBL3360290) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C31H39N5O7/c1-20(2)26(27(38)31(42)32-19-25(37)36-14-16-43-17-15-36)35-28(39)21(3)33-30(41)24(18-22-10-6-4-7-11-22)34-29(40)23-12-8-5-9-13-23/h4-13,20-21,24,26H,14-19H2,1-3H3,(H,32,42)(H,33,41)(H,34,40)(H,35,39)/t21-,24-,26-/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	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using ABz-Gly-Ile-Val-Arg-Ala-Lys-DNP-OH as substrate after 10 mins by fluorescence assay				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair
Peptidase 1 (Der p 1) (Dermatophagoides pteronyssinus (European house dus...)	BDBM50031697 (CHEMBL3360290) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C31H39N5O7/c1-20(2)26(27(38)31(42)32-19-25(37)36-14-16-43-17-15-36)35-28(39)21(3)33-30(41)24(18-22-10-6-4-7-11-22)34-29(40)23-12-8-5-9-13-23/h4-13,20-21,24,26H,14-19H2,1-3H3,(H,32,42)(H,33,41)(H,34,40)(H,35,39)/t21-,24-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of house dust mite Derp-1 after 20 mins				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
					More data for this Ligand-Target Pair