BDBM50543554 CHEMBL4646991

SMILES: CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)\N=N\c1ccccc1)C(C)C)C(=O)C(N)=O

InChI Key: InChIKey=XGTOHUUPMSMGKC-YKLJPMTISA-N

Data: 1 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 1 hit for monomerid = 50543554   

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
Calpain 1 (Sus scrofa (pig))	BDBM50543554 (CHEMBL4646991) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)\N=N\c1ccccc1)C(C)C)C(=O)C(N)=O |r| Show InChI InChI=1S/C24H31N5O5S/c1-15(2)14-20(22(30)23(25)31)26-24(32)21(16(3)4)29-35(33,34)19-12-10-18(11-13-19)28-27-17-8-6-5-7-9-17/h5-13,15-16,20-21,29H,14H2,1-4H3,(H2,25,31)(H,26,32)/b28-27+/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of mu-calpain in porcine erythrocyte using Suc-Leu-Tyr-AMC as substrate by microtiter plate assay based Dixon plot analysis				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair