Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM416532' 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 |
|---|
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM416532
(3-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1s,...)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3n(C4CC4)c(CC4CCC(CC4)C(F)(F)F)nc3c2)cc1 |(-13.39,7.33,;-12.62,8.66,;-13.39,9.99,;-14.16,8.66,;-14.16,11.33,;-11.85,9.99,;-11.08,11.33,;-9.54,11.33,;-8.77,9.99,;-7.23,9.99,;-6.46,8.66,;-4.92,8.66,;-4.15,9.99,;-4.15,7.33,;-4.92,5.99,;-4.15,4.66,;-2.61,4.66,;-1.58,3.51,;-1.9,2.01,;-2.93,.86,;-1.58,.5,;-.17,4.14,;1.16,3.37,;2.5,4.14,;2.5,5.68,;3.83,6.45,;5.16,5.68,;5.16,4.14,;3.83,3.37,;6.5,6.45,;7.83,5.68,;6.5,7.99,;7.83,7.22,;-.33,5.67,;-1.84,5.99,;-2.61,7.33,;-9.54,8.66,;-11.08,8.66,)| Show InChI InChI=1S/C27H31F3N4O3S/c1-2-38(36,37)22-11-5-18(6-12-22)15-32-26(35)19-14-23-25(31-16-19)34(21-9-10-21)24(33-23)13-17-3-7-20(8-4-17)27(28,29)30/h5-6,11-12,14,16-17,20-21H,2-4,7-10,13,15H2,1H3,(H,32,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, LLC
US Patent
| Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL... |
US Patent US10301261 (2019)
BindingDB Entry DOI: 10.7270/Q2CZ39H8 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM416532
(3-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1s,...)Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3n(C4CC4)c(CC4CCC(CC4)C(F)(F)F)nc3c2)cc1 |(-13.39,7.33,;-12.62,8.66,;-13.39,9.99,;-14.16,8.66,;-14.16,11.33,;-11.85,9.99,;-11.08,11.33,;-9.54,11.33,;-8.77,9.99,;-7.23,9.99,;-6.46,8.66,;-4.92,8.66,;-4.15,9.99,;-4.15,7.33,;-4.92,5.99,;-4.15,4.66,;-2.61,4.66,;-1.58,3.51,;-1.9,2.01,;-2.93,.86,;-1.58,.5,;-.17,4.14,;1.16,3.37,;2.5,4.14,;2.5,5.68,;3.83,6.45,;5.16,5.68,;5.16,4.14,;3.83,3.37,;6.5,6.45,;7.83,5.68,;6.5,7.99,;7.83,7.22,;-.33,5.67,;-1.84,5.99,;-2.61,7.33,;-9.54,8.66,;-11.08,8.66,)| Show InChI InChI=1S/C27H31F3N4O3S/c1-2-38(36,37)22-11-5-18(6-12-22)15-32-26(35)19-14-23-25(31-16-19)34(21-9-10-21)24(33-23)13-17-3-7-20(8-4-17)27(28,29)30/h5-6,11-12,14,16-17,20-21H,2-4,7-10,13,15H2,1H3,(H,32,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, LLC
US Patent
| Assay Description
Compounds described herein were tested for RORγ inverse agonist activity in a cell-based, transcriptional activity assay. Secreted NanolucŪ luci... |
US Patent US10301261 (2019)
BindingDB Entry DOI: 10.7270/Q2CZ39H8 |
More data for this
Ligand-Target Pair | |
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