BDBM50078727 (S)-2-(Cyclohexyl-methyl-amino)-4-methyl-pentanoic acid [(S)-2-(4-benzyloxy-phenyl)-1-tert-butylcarbamoyl-ethyl]-amide::CHEMBL423302

SMILES: CC(C)C[C@H](N(C)C1CCCCC1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C

InChI Key: InChIKey=VKSITIDMXFEQJN-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 = 50078727   

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))	BDBM50078727 ((S)-2-(Cyclohexyl-methyl-amino)-4-methyl-pentanoic...) Show SMILES CC(C)C[C@H](N(C)C1CCCCC1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C Show InChI InChI=1S/C33H49N3O3/c1-24(2)21-30(36(6)27-15-11-8-12-16-27)32(38)34-29(31(37)35-33(3,4)5)22-25-17-19-28(20-18-25)39-23-26-13-9-7-10-14-26/h7,9-10,13-14,17-20,24,27,29-30H,8,11-12,15-16,21-23H2,1-6H3,(H,34,38)(H,35,37)/t29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro antagonism of N-type voltage sensitive calcium channel in IMR-32 assay using fluorescent [Ca2+] indicator Indo-11 in the presence of 5 micro...				Bioorg Med Chem Lett 9: 1813-8 (1999) BindingDB Entry DOI: 10.7270/Q2KD1X3X
					More data for this Ligand-Target Pair