Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM416473' 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)) | BDBM416473
(N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-1-isobut...)Show SMILES CCC(C)n1c(C[C@H]2CC[C@@H](CC2)C(F)(F)F)nc2cc(ccc12)C(=O)NCc1ccc(nc1)S(=O)(=O)CC |wU:7.6,wD:10.13,(2.47,4.76,;3.98,5.08,;5.01,3.94,;6.52,4.26,;4.53,2.47,;5.44,1.23,;6.98,1.23,;7.75,-.11,;9.29,-.11,;10.06,-1.44,;9.29,-2.78,;7.75,-2.78,;6.98,-1.44,;10.06,-4.11,;9.29,-5.44,;10.83,-5.44,;11.6,-4.11,;4.53,-.02,;3.07,.46,;1.74,-.31,;.4,.46,;.4,2,;1.74,2.77,;3.07,2,;-.93,-.31,;-.93,-1.85,;-2.26,.46,;-3.6,-.31,;-4.93,.46,;-4.93,2,;-6.27,2.77,;-7.6,2,;-7.6,.46,;-6.27,-.31,;-8.93,2.77,;-8.16,4.1,;-9.7,1.43,;-10.27,3.54,;-11.6,2.77,)| Show InChI InChI=1S/C28H35F3N4O3S/c1-4-18(3)35-24-12-9-21(27(36)33-17-20-8-13-26(32-16-20)39(37,38)5-2)15-23(24)34-25(35)14-19-6-10-22(11-7-19)28(29,30)31/h8-9,12-13,15-16,18-19,22H,4-7,10-11,14,17H2,1-3H3,(H,33,36)/t18?,19-,22- | 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)) | BDBM416473
(N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-1-isobut...)Show SMILES CCC(C)n1c(C[C@H]2CC[C@@H](CC2)C(F)(F)F)nc2cc(ccc12)C(=O)NCc1ccc(nc1)S(=O)(=O)CC |wU:7.6,wD:10.13,(2.47,4.76,;3.98,5.08,;5.01,3.94,;6.52,4.26,;4.53,2.47,;5.44,1.23,;6.98,1.23,;7.75,-.11,;9.29,-.11,;10.06,-1.44,;9.29,-2.78,;7.75,-2.78,;6.98,-1.44,;10.06,-4.11,;9.29,-5.44,;10.83,-5.44,;11.6,-4.11,;4.53,-.02,;3.07,.46,;1.74,-.31,;.4,.46,;.4,2,;1.74,2.77,;3.07,2,;-.93,-.31,;-.93,-1.85,;-2.26,.46,;-3.6,-.31,;-4.93,.46,;-4.93,2,;-6.27,2.77,;-7.6,2,;-7.6,.46,;-6.27,-.31,;-8.93,2.77,;-8.16,4.1,;-9.7,1.43,;-10.27,3.54,;-11.6,2.77,)| Show InChI InChI=1S/C28H35F3N4O3S/c1-4-18(3)35-24-12-9-21(27(36)33-17-20-8-13-26(32-16-20)39(37,38)5-2)15-23(24)34-25(35)14-19-6-10-22(11-7-19)28(29,30)31/h8-9,12-13,15-16,18-19,22H,4-7,10-11,14,17H2,1-3H3,(H,33,36)/t18?,19-,22- | 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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