Found 2 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50255426' 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)) | BDBM50255426
((S)-N-((1s,4R)-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:19.32,wD:7.10,4.3,(9.96,-26.87,;8.63,-26.11,;7.86,-27.44,;9.41,-24.78,;7.3,-25.34,;5.96,-26.11,;4.63,-25.33,;4.64,-23.8,;5.96,-23.03,;7.29,-23.79,;3.3,-23.03,;1.97,-23.79,;1.97,-25.33,;.64,-23.02,;-.69,-23.78,;-2.02,-23.02,;-2.03,-21.48,;-.69,-20.7,;.64,-21.48,;-2.8,-20.14,;-4.14,-20.92,;-3.36,-22.26,;-3.76,-23.75,;-5.63,-20.53,;-6.03,-19.04,;-7.51,-18.65,;-8.6,-19.74,;-8.19,-21.23,;-6.7,-21.62,;-2.41,-18.66,;-.92,-18.26,;-.53,-16.77,;-1.62,-15.68,;-3.11,-16.09,;-3.5,-17.58,)| 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 | 232 | 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)) | BDBM50255426
((S)-N-((1s,4R)-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:19.32,wD:7.10,4.3,(9.96,-26.87,;8.63,-26.11,;7.86,-27.44,;9.41,-24.78,;7.3,-25.34,;5.96,-26.11,;4.63,-25.33,;4.64,-23.8,;5.96,-23.03,;7.29,-23.79,;3.3,-23.03,;1.97,-23.79,;1.97,-25.33,;.64,-23.02,;-.69,-23.78,;-2.02,-23.02,;-2.03,-21.48,;-.69,-20.7,;.64,-21.48,;-2.8,-20.14,;-4.14,-20.92,;-3.36,-22.26,;-3.76,-23.75,;-5.63,-20.53,;-6.03,-19.04,;-7.51,-18.65,;-8.6,-19.74,;-8.19,-21.23,;-6.7,-21.62,;-2.41,-18.66,;-.92,-18.26,;-.53,-16.77,;-1.62,-15.68,;-3.11,-16.09,;-3.5,-17.58,)| 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 | 528 | 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 | |