BDBM50128681 CHEMBL80933::N-(1-Carbamoyl-2-phenyl-ethyl)-2-[2-(4-dimethylaminomethyl-phenyl)-vinyl]-nicotinamide

SMILES: CN(C)Cc1ccc(\C=C\c2ncccc2C(=O)NC(Cc2ccccc2)C(N)=O)cc1

InChI Key: InChIKey=OXQKFIHVHFGYRB-CCEZHUSRSA-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 = 50128681   

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))	BDBM50128681 (CHEMBL80933 | N-(1-Carbamoyl-2-phenyl-ethyl)-2-[2-...) Show SMILES CN(C)Cc1ccc(\C=C\c2ncccc2C(=O)NC(Cc2ccccc2)C(N)=O)cc1 Show InChI InChI=1S/C26H28N4O2/c1-30(2)18-21-12-10-19(11-13-21)14-15-23-22(9-6-16-28-23)26(32)29-24(25(27)31)17-20-7-4-3-5-8-20/h3-16,24H,17-18H2,1-2H3,(H2,27,31)(H,29,32)/b15-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	18.3	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))	BDBM50128681 (CHEMBL80933 | N-(1-Carbamoyl-2-phenyl-ethyl)-2-[2-...) Show SMILES CN(C)Cc1ccc(\C=C\c2ncccc2C(=O)NC(Cc2ccccc2)C(N)=O)cc1 Show InChI InChI=1S/C26H28N4O2/c1-30(2)18-21-12-10-19(11-13-21)14-15-23-22(9-6-16-28-23)26(32)29-24(25(27)31)17-20-7-4-3-5-8-20/h3-16,24H,17-18H2,1-2H3,(H2,27,31)(H,29,32)/b15-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	83	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))	BDBM50128681 (CHEMBL80933 | N-(1-Carbamoyl-2-phenyl-ethyl)-2-[2-...) Show SMILES CN(C)Cc1ccc(\C=C\c2ncccc2C(=O)NC(Cc2ccccc2)C(N)=O)cc1 Show InChI InChI=1S/C26H28N4O2/c1-30(2)18-21-12-10-19(11-13-21)14-15-23-22(9-6-16-28-23)26(32)29-24(25(27)31)17-20-7-4-3-5-8-20/h3-16,24H,17-18H2,1-2H3,(H2,27,31)(H,29,32)/b15-14+	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	1.00E+3	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