Found 2 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50255382' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50255382
((S)-N-((1r,4S)-4-tert-butylcyclohexyl)-1-oxo-2,3-d...)Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)NC(=O)N1CCC2(CC1)[C@@H](N(C2=O)c1ccccc1)c1ccccc1 |r,wU:4.3,19.32,wD:7.10,(30.29,-16.11,;28.97,-15.34,;28.2,-16.68,;29.75,-14.01,;27.63,-14.57,;26.3,-15.34,;24.97,-14.57,;24.97,-13.03,;26.3,-12.26,;27.63,-13.03,;23.64,-12.26,;22.31,-13.03,;22.31,-14.57,;20.97,-12.26,;19.65,-13.02,;18.32,-12.26,;18.31,-10.71,;19.65,-9.94,;20.97,-10.72,;17.54,-9.38,;16.2,-10.15,;16.98,-11.49,;16.58,-12.98,;14.71,-9.77,;14.31,-8.28,;12.83,-7.88,;11.74,-8.98,;12.15,-10.47,;13.63,-10.86,;17.93,-7.89,;19.42,-7.49,;19.81,-6,;18.72,-4.92,;17.23,-5.33,;16.84,-6.81,)| Show InChI InChI=1S/C30H39N3O2/c1-29(2,3)23-14-16-24(17-15-23)31-28(35)32-20-18-30(19-21-32)26(22-10-6-4-7-11-22)33(27(30)34)25-12-8-5-9-13-25/h4-13,23-24,26H,14-21H2,1-3H3,(H,31,35)/t23-,24-,26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at TRPV1 expressed in HEK293 cells assessed as inhibition of PMA-induced activation by FLIPR assay |
Bioorg Med Chem Lett 19: 783-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.024 BindingDB Entry DOI: 10.7270/Q2F47P1D |
More data for this Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50255382
((S)-N-((1r,4S)-4-tert-butylcyclohexyl)-1-oxo-2,3-d...)Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)NC(=O)N1CCC2(CC1)[C@@H](N(C2=O)c1ccccc1)c1ccccc1 |r,wU:4.3,19.32,wD:7.10,(30.29,-16.11,;28.97,-15.34,;28.2,-16.68,;29.75,-14.01,;27.63,-14.57,;26.3,-15.34,;24.97,-14.57,;24.97,-13.03,;26.3,-12.26,;27.63,-13.03,;23.64,-12.26,;22.31,-13.03,;22.31,-14.57,;20.97,-12.26,;19.65,-13.02,;18.32,-12.26,;18.31,-10.71,;19.65,-9.94,;20.97,-10.72,;17.54,-9.38,;16.2,-10.15,;16.98,-11.49,;16.58,-12.98,;14.71,-9.77,;14.31,-8.28,;12.83,-7.88,;11.74,-8.98,;12.15,-10.47,;13.63,-10.86,;17.93,-7.89,;19.42,-7.49,;19.81,-6,;18.72,-4.92,;17.23,-5.33,;16.84,-6.81,)| Show InChI InChI=1S/C30H39N3O2/c1-29(2,3)23-14-16-24(17-15-23)31-28(35)32-20-18-30(19-21-32)26(22-10-6-4-7-11-22)33(27(30)34)25-12-8-5-9-13-25/h4-13,23-24,26H,14-21H2,1-3H3,(H,31,35)/t23-,24-,26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Antagonist activity at TRPV1 (unknown origin) expressed in HEK293 cells assessed as inhibition of capsaicin-induced activation by FLIPR assay |
Bioorg Med Chem Lett 19: 783-7 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.024 BindingDB Entry DOI: 10.7270/Q2F47P1D |
More data for this Ligand-Target Pair | |