BDBM50135537 3-{(R)-2-Cyano-2-[(S)-2-(3-oxo-indan-5-ylamino)-3-m-tolyl-propionylamino]-ethoxymethyl}-benzoic acid::CHEMBL437251

SMILES: Cc1cccc(C[C@H](Nc2ccc3CCC(=O)c3c2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1

InChI Key: InChIKey=YQJYIKXQLIGWFG-VPUSJEBWSA-N

Data: 1 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 1 hit for monomerid = 50135537   

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 and K) (Homo sapiens (Human))	BDBM50135537 (3-{(R)-2-Cyano-2-[(S)-2-(3-oxo-indan-5-ylamino)-3-...) Show SMILES Cc1cccc(C[C@H](Nc2ccc3CCC(=O)c3c2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1 Show InChI InChI=1S/C30H29N3O5/c1-19-4-2-5-20(12-19)14-27(32-24-10-8-22-9-11-28(34)26(22)15-24)29(35)33-25(16-31)18-38-17-21-6-3-7-23(13-21)30(36)37/h2-8,10,12-13,15,25,27,32H,9,11,14,17-18H2,1H3,(H,33,35)(H,36,37)/t25-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute of Biomedical Research Curated by ChEMBL					Assay Description Inhibtitory activity against cathepsin B (catB)				Bioorg Med Chem Lett 13: 4121-4 (2003) Article DOI: 10.1016/j.bmcl.2003.08.006 BindingDB Entry DOI: 10.7270/Q2BC3XZC
					More data for this Ligand-Target Pair