BDBM50128679 CHEMBL77784::N-(1-Carbamoyl-pentyl)-2-[2-(4-dimethylaminomethyl-phenyl)-vinyl]-benzamide

SMILES: CCCCC(NC(=O)c1ccccc1\C=C\c1ccc(CN(C)C)cc1)C(N)=O

InChI Key: InChIKey=PVEWYPRSIGWUAA-FOCLMDBBSA-N

Data: 2 KI  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 3 hits for monomerid = 50128679   

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))	BDBM50128679 (CHEMBL77784 | N-(1-Carbamoyl-pentyl)-2-[2-(4-dimet...) Show SMILES CCCCC(NC(=O)c1ccccc1\C=C\c1ccc(CN(C)C)cc1)C(N)=O Show InChI InChI=1S/C24H31N3O2/c1-4-5-10-22(23(25)28)26-24(29)21-9-7-6-8-20(21)16-15-18-11-13-19(14-12-18)17-27(2)3/h6-9,11-16,22H,4-5,10,17H2,1-3H3,(H2,25,28)(H,26,29)/b16-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	13.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibitory activity against human Calpain 1 isolated from erythrocytes				J Med Chem 46: 2404-12 (2003) Article DOI: 10.1021/jm0210717 BindingDB Entry DOI: 10.7270/Q28P5ZVP
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50128679 (CHEMBL77784 | N-(1-Carbamoyl-pentyl)-2-[2-(4-dimet...) Show SMILES CCCCC(NC(=O)c1ccccc1\C=C\c1ccc(CN(C)C)cc1)C(N)=O Show InChI InChI=1S/C24H31N3O2/c1-4-5-10-22(23(25)28)26-24(29)21-9-7-6-8-20(21)16-15-18-11-13-19(14-12-18)17-27(2)3/h6-9,11-16,22H,4-5,10,17H2,1-3H3,(H2,25,28)(H,26,29)/b16-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of cathepsin B				J Med Chem 46: 2404-12 (2003) Article DOI: 10.1021/jm0210717 BindingDB Entry DOI: 10.7270/Q28P5ZVP
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50128679 (CHEMBL77784 | N-(1-Carbamoyl-pentyl)-2-[2-(4-dimet...) Show SMILES CCCCC(NC(=O)c1ccccc1\C=C\c1ccc(CN(C)C)cc1)C(N)=O Show InChI InChI=1S/C24H31N3O2/c1-4-5-10-22(23(25)28)26-24(29)21-9-7-6-8-20(21)16-15-18-11-13-19(14-12-18)17-27(2)3/h6-9,11-16,22H,4-5,10,17H2,1-3H3,(H2,25,28)(H,26,29)/b16-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of degradation of tyrosine kinase pp60src by Calpain 1 in human platelets				J Med Chem 46: 2404-12 (2003) Article DOI: 10.1021/jm0210717 BindingDB Entry DOI: 10.7270/Q28P5ZVP
					More data for this Ligand-Target Pair