BDBM50076112 Benzoic acid 4-((S)-2-tert-butylcarbamoyl-2-{(S)-4-methyl-2-[methyl-(3-methyl-butyl)-amino]-pentanoylamino}-ethyl)-phenyl ester::CHEMBL277085

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

InChI Key: InChIKey=VULRFDUFJCQCEM-NSOVKSMOSA-N

Data: 2 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 2 hits for monomerid = 50076112   

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))	BDBM50076112 (Benzoic acid 4-((S)-2-tert-butylcarbamoyl-2-{(S)-4...) Show SMILES CC(C)CCN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C Show InChI InChI=1S/C32H47N3O4/c1-22(2)18-19-35(8)28(20-23(3)4)30(37)33-27(29(36)34-32(5,6)7)21-24-14-16-26(17-15-24)39-31(38)25-12-10-9-11-13-25/h9-17,22-23,27-28H,18-21H2,1-8H3,(H,33,37)(H,34,36)/t27-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against N-type calcium channel in the IMR-32 human neuroblastoma cells				Bioorg Med Chem Lett 9: 907-12 (1999) BindingDB Entry DOI: 10.7270/Q2D799MZ
					More data for this Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human))	BDBM50076112 (Benzoic acid 4-((S)-2-tert-butylcarbamoyl-2-{(S)-4...) Show SMILES CC(C)CCN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C Show InChI InChI=1S/C32H47N3O4/c1-22(2)18-19-35(8)28(20-23(3)4)30(37)33-27(29(36)34-32(5,6)7)21-24-14-16-26(17-15-24)39-31(38)25-12-10-9-11-13-25/h9-17,22-23,27-28H,18-21H2,1-8H3,(H,33,37)(H,34,36)/t27-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro N-type [Ca2+] channel blocking potency in IMR-32 human neuroblastoma cells				Bioorg Med Chem Lett 9: 1121-6 (1999) BindingDB Entry DOI: 10.7270/Q2NK3D65
					More data for this Ligand-Target Pair