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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 317988   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317988
PNG
(US10399976, Compound 141 | US10807980, Compound 14...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)C1(CC1)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1 |r|
Show InChI InChI=1S/C29H31F3N4O3S/c1-4-40(38,39)23-9-10-24(33-15-23)28(11-12-28)35-27(37)20-13-21-17-36(26(18(2)3)25(21)34-14-20)16-19-5-7-22(8-6-19)29(30,31)32/h5-10,13-15,18,26H,4,11-12,16-17H2,1-3H3,(H,35,37)/t26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9624217 (2017)


BindingDB Entry DOI: 10.7270/Q29P33RJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317988
PNG
(US10399976, Compound 141 | US10807980, Compound 14...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)C1(CC1)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1 |r|
Show InChI InChI=1S/C29H31F3N4O3S/c1-4-40(38,39)23-9-10-24(33-15-23)28(11-12-28)35-27(37)20-13-21-17-36(26(18(2)3)25(21)34-14-20)16-19-5-7-22(8-6-19)29(30,31)32/h5-10,13-15,18,26H,4,11-12,16-17H2,1-3H3,(H,35,37)/t26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BK1H79
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317988
PNG
(US10399976, Compound 141 | US10807980, Compound 14...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)C1(CC1)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1 |r|
Show InChI InChI=1S/C29H31F3N4O3S/c1-4-40(38,39)23-9-10-24(33-15-23)28(11-12-28)35-27(37)20-13-21-17-36(26(18(2)3)25(21)34-14-20)16-19-5-7-22(8-6-19)29(30,31)32/h5-10,13-15,18,26H,4,11-12,16-17H2,1-3H3,(H,35,37)/t26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US10807980 (2020)


BindingDB Entry DOI: 10.7270/Q2PR803S
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM317988
PNG
(US10399976, Compound 141 | US10807980, Compound 14...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)C1(CC1)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1 |r|
Show InChI InChI=1S/C29H31F3N4O3S/c1-4-40(38,39)23-9-10-24(33-15-23)28(11-12-28)35-27(37)20-13-21-17-36(26(18(2)3)25(21)34-14-20)16-19-5-7-22(8-6-19)29(30,31)32/h5-10,13-15,18,26H,4,11-12,16-17H2,1-3H3,(H,35,37)/t26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to ROR gamma in a cell-free competition assay with commercially available radio-li...


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair