BDBM50080040 Benzoic acid 4-{(S)-2-[(S)-2-(benzyl-methyl-amino)-4-methyl-pentanoylamino]-2-tert-butylcarbamoyl-ethyl}-phenyl ester::CHEMBL303609

SMILES: CC(C)C[C@H](N(C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C

InChI Key: InChIKey=BRNNVTNSNUZGHW-KYJUHHDHSA-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 = 50080040   

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
Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human))	BDBM50080040 (Benzoic acid 4-{(S)-2-[(S)-2-(benzyl-methyl-amino)...) Show SMILES CC(C)C[C@H](N(C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C Show InChI InChI=1S/C34H43N3O4/c1-24(2)21-30(37(6)23-26-13-9-7-10-14-26)32(39)35-29(31(38)36-34(3,4)5)22-25-17-19-28(20-18-25)41-33(40)27-15-11-8-12-16-27/h7-20,24,29-30H,21-23H2,1-6H3,(H,35,39)(H,36,38)/t29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of N-type calcium channels in IMR-32 human neuroblastoma cells				Bioorg Med Chem Lett 9: 2151-6 (1999) BindingDB Entry DOI: 10.7270/Q2H70F02
					More data for this Ligand-Target Pair