BDBM50031689 CHEMBL3360298

SMILES: CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccnc2ccccc12)C(C)(C)C)C(=O)C(=O)NCC(=O)N1CCN(CC1)C(C)C

InChI Key: InChIKey=FGOVJPRNEYIZTJ-DETITRACSA-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 = 50031689   

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))	BDBM50031689 (CHEMBL3360298) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccnc2ccccc12)C(C)(C)C)C(=O)C(=O)NCC(=O)N1CCN(CC1)C(C)C |r| Show InChI InChI=1S/C34H49N7O6/c1-20(2)27(28(43)32(46)36-19-26(42)41-17-15-40(16-18-41)21(3)4)38-30(44)22(5)37-33(47)29(34(6,7)8)39-31(45)24-13-14-35-25-12-10-9-11-23(24)25/h9-14,20-22,27,29H,15-19H2,1-8H3,(H,36,46)(H,37,47)(H,38,44)(H,39,45)/t22-,27-,29+/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	>2.50E+3	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...)	BDBM50031689 (CHEMBL3360298) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccnc2ccccc12)C(C)(C)C)C(=O)C(=O)NCC(=O)N1CCN(CC1)C(C)C |r| Show InChI InChI=1S/C34H49N7O6/c1-20(2)27(28(43)32(46)36-19-26(42)41-17-15-40(16-18-41)21(3)4)38-30(44)22(5)37-33(47)29(34(6,7)8)39-31(45)24-13-14-35-25-12-10-9-11-23(24)25/h9-14,20-22,27,29H,15-19H2,1-8H3,(H,36,46)(H,37,47)(H,38,44)(H,39,45)/t22-,27-,29+/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	3	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