BDBM36814 MB-074

SMILES: CCC(C)[C@H](NC(=O)C1OC1NCCc1ccc(O)cc1)C(=O)N1OCC[C@@H]1C(O)=O

InChI Key: InChIKey=FGRQKXSSOJOAGK-DTMBRCGHSA-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 = 36814   

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 L (Homo sapiens (Human))	BDBM36814 (MB-074) Show SMILES CCC(C)[C@H](NC(=O)C1OC1NCCc1ccc(O)cc1)C(=O)N1OCC[C@@H]1C(O)=O |r| Show InChI InChI=1S/C21H29N3O7/c1-3-12(2)16(20(27)24-15(21(28)29)9-11-30-24)23-18(26)17-19(31-17)22-10-8-13-4-6-14(25)7-5-13/h4-7,12,15-17,19,22,25H,3,8-11H2,1-2H3,(H,23,26)(H,28,29)/t12?,15-,16+,17?,19?/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	5.5	25
University of California, San Francisco					Assay Description Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...				Chem Biol 7: 27-38 (2000) Article DOI: 10.1016/s1074-5521(00)00061-2 BindingDB Entry DOI: 10.7270/Q24B2ZN5
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM36814 (MB-074) Show SMILES CCC(C)[C@H](NC(=O)C1OC1NCCc1ccc(O)cc1)C(=O)N1OCC[C@@H]1C(O)=O |r| Show InChI InChI=1S/C21H29N3O7/c1-3-12(2)16(20(27)24-15(21(28)29)9-11-30-24)23-18(26)17-19(31-17)22-10-8-13-4-6-14(25)7-5-13/h4-7,12,15-17,19,22,25H,3,8-11H2,1-2H3,(H,23,26)(H,28,29)/t12?,15-,16+,17?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	5.5	25
University of California, San Francisco					Assay Description Inhibition assay using pre-treatment of recombinant cathepsin-L-like cysteine protease cruzain lacking the carboxy-terminal domain or cathepsin B fr...				Chem Biol 7: 27-38 (2000) Article DOI: 10.1016/s1074-5521(00)00061-2 BindingDB Entry DOI: 10.7270/Q24B2ZN5
					More data for this Ligand-Target Pair