BDBM50076106 Benzoic acid 4-((S)-2-{(S)-2-[(azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-2-tert-butoxycarbonyl-ethyl)-phenyl ester::CHEMBL135329::PD-151307
SMILES: CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C
InChI Key: InChIKey=IFZDICMQBAJLQQ-NSOVKSMOSA-N
Data: 2 IC50
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)) | BDBM50076106 (Benzoic acid 4-((S)-2-{(S)-2-[(azepane-1-carbonyl)...) | 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 Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells | J Med Chem 42: 4239-49 (1999) BindingDB Entry DOI: 10.7270/Q2QF8S22 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human)) | BDBM50076106 (Benzoic acid 4-((S)-2-{(S)-2-[(azepane-1-carbonyl)...) | 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 |