BDBM50465145 CHEMBL4284950

SMILES: O=C(NC1CCC1)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1

InChI Key: InChIKey=IUDVCGMCLFLARO-UHFFFAOYSA-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 = 50465145   

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
Calpain1 (Homo sapiens (Human))	BDBM50465145 (CHEMBL4284950) Show SMILES O=C(NC1CCC1)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C29H27N5O3/c35-26(29(37)31-22-13-7-14-22)25(19-20-9-3-1-4-10-20)32-28(36)23-15-8-17-30-27(23)34-18-16-24(33-34)21-11-5-2-6-12-21/h1-6,8-12,15-18,22,25H,7,13-14,19H2,(H,31,37)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay				ACS Med Chem Lett 9: 221-226 (2018) Article DOI: 10.1021/acsmedchemlett.7b00494 BindingDB Entry DOI: 10.7270/Q23J3GNH
					More data for this Ligand-Target Pair