Found 3 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM351734' 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)) | BDBM351734
(US9796710, Compound 29 | US9796710, Compound 30 | ...)Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@@H](NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1)[C@@H](C)O |r,wU:28.32,11.12,38.43,wD:25.25,19.20,(12.26,-2.97,;10.91,-3.72,;9.59,-2.93,;8.8,-4.26,;10.38,-1.61,;8.27,-2.15,;8.2,-.53,;6.87,.24,;5.53,-.53,;5.53,-2.07,;6.87,-2.84,;4.2,.24,;2.87,-.53,;1.53,.24,;1.53,1.78,;.2,-.53,;.2,-2.07,;-1.13,-2.84,;-2.47,-2.07,;-3.93,-2.54,;-4.33,-4.03,;-5.82,-4.43,;-3.24,-5.12,;-4.84,-1.3,;-6.38,-1.3,;-7.15,.04,;-6.38,1.37,;-7.15,2.7,;-8.69,2.7,;-9.46,1.37,;-8.69,.04,;-9.46,4.04,;-8.69,5.37,;-11,4.04,;-10.23,5.37,;-3.93,-.05,;-2.47,-.53,;-1.13,.24,;4.2,1.78,;2.87,2.55,;5.53,2.55,)| Show InChI InChI=1S/C30H40F3N3O4S/c1-5-41(39,40)25-12-8-21(9-13-25)26(19(4)37)35-29(38)22-14-23-17-36(28(18(2)3)27(23)34-15-22)16-20-6-10-24(11-7-20)30(31,32)33/h8-9,12-15,18-20,24,26,28,37H,5-7,10-11,16-17H2,1-4H3,(H,35,38)/t19-,20-,24-,26+,28+/m1/s1 | 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, Inc.
US Patent
| Assay Description
Compounds of the present invention were tested for ability to bind to ROR in a cell-free competition assay with commercially available radio-ligand (... |
US Patent US9796710 (2017)
BindingDB Entry DOI: 10.7270/Q2RN3B08 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM351734
(US9796710, Compound 29 | US9796710, Compound 30 | ...)Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@@H](NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1)[C@@H](C)O |r,wU:28.32,11.12,38.43,wD:25.25,19.20,(12.26,-2.97,;10.91,-3.72,;9.59,-2.93,;8.8,-4.26,;10.38,-1.61,;8.27,-2.15,;8.2,-.53,;6.87,.24,;5.53,-.53,;5.53,-2.07,;6.87,-2.84,;4.2,.24,;2.87,-.53,;1.53,.24,;1.53,1.78,;.2,-.53,;.2,-2.07,;-1.13,-2.84,;-2.47,-2.07,;-3.93,-2.54,;-4.33,-4.03,;-5.82,-4.43,;-3.24,-5.12,;-4.84,-1.3,;-6.38,-1.3,;-7.15,.04,;-6.38,1.37,;-7.15,2.7,;-8.69,2.7,;-9.46,1.37,;-8.69,.04,;-9.46,4.04,;-8.69,5.37,;-11,4.04,;-10.23,5.37,;-3.93,-.05,;-2.47,-.53,;-1.13,.24,;4.2,1.78,;2.87,2.55,;5.53,2.55,)| Show InChI InChI=1S/C30H40F3N3O4S/c1-5-41(39,40)25-12-8-21(9-13-25)26(19(4)37)35-29(38)22-14-23-17-36(28(18(2)3)27(23)34-15-22)16-20-6-10-24(11-7-20)30(31,32)33/h8-9,12-15,18-20,24,26,28,37H,5-7,10-11,16-17H2,1-4H3,(H,35,38)/t19-,20-,24-,26+,28+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Compounds of the present invention were tested for ability to bind to ROR in a cell-free competition assay with commercially available radio-ligand (... |
US Patent US9796710 (2017)
BindingDB Entry DOI: 10.7270/Q2RN3B08 |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM351734
(US9796710, Compound 29 | US9796710, Compound 30 | ...)Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@@H](NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1)[C@@H](C)O |r,wU:28.32,11.12,38.43,wD:25.25,19.20,(12.26,-2.97,;10.91,-3.72,;9.59,-2.93,;8.8,-4.26,;10.38,-1.61,;8.27,-2.15,;8.2,-.53,;6.87,.24,;5.53,-.53,;5.53,-2.07,;6.87,-2.84,;4.2,.24,;2.87,-.53,;1.53,.24,;1.53,1.78,;.2,-.53,;.2,-2.07,;-1.13,-2.84,;-2.47,-2.07,;-3.93,-2.54,;-4.33,-4.03,;-5.82,-4.43,;-3.24,-5.12,;-4.84,-1.3,;-6.38,-1.3,;-7.15,.04,;-6.38,1.37,;-7.15,2.7,;-8.69,2.7,;-9.46,1.37,;-8.69,.04,;-9.46,4.04,;-8.69,5.37,;-11,4.04,;-10.23,5.37,;-3.93,-.05,;-2.47,-.53,;-1.13,.24,;4.2,1.78,;2.87,2.55,;5.53,2.55,)| Show InChI InChI=1S/C30H40F3N3O4S/c1-5-41(39,40)25-12-8-21(9-13-25)26(19(4)37)35-29(38)22-14-23-17-36(28(18(2)3)27(23)34-15-22)16-20-6-10-24(11-7-20)30(31,32)33/h8-9,12-15,18-20,24,26,28,37H,5-7,10-11,16-17H2,1-4H3,(H,35,38)/t19-,20-,24-,26+,28+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals, Inc.
US Patent
| Assay Description
Compounds of the present invention were tested for ability to bind to ROR in a cell-free competition assay with commercially available radio-ligand (... |
US Patent US9796710 (2017)
BindingDB Entry DOI: 10.7270/Q2RN3B08 |
More data for this
Ligand-Target Pair | |
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