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SMILES: COc1nc2ccc(cc2c(Cl)c1CN1CCC(O)(CC1)C(F)(F)F)C(O)(c1cncn1C)c1ccnc(c1)C(F)(F)F

InChI Key: InChIKey=DLFDVSBYPJENKR-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 339060   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339060
PNG
(US10201546, Example 16 | US10201546, Example 182a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(O)(CC1)C(F)(F)F)C(O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C28H26ClF6N5O3/c1-39-15-36-13-22(39)26(42,17-5-8-37-21(12-17)27(30,31)32)16-3-4-20-18(11-16)23(29)19(24(38-20)43-2)14-40-9-6-25(41,7-10-40)28(33,34)35/h3-5,8,11-13,15,41-42H,6-7,9-10,14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 29n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluor is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability (...


US Patent US10201546 (2019)


BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339060
PNG
(US10201546, Example 16 | US10201546, Example 182a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(O)(CC1)C(F)(F)F)C(O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C28H26ClF6N5O3/c1-39-15-36-13-22(39)26(42,17-5-8-37-21(12-17)27(30,31)32)16-3-4-20-18(11-16)23(29)19(24(38-20)43-2)14-40-9-6-25(41,7-10-40)28(33,34)35/h3-5,8,11-13,15,41-42H,6-7,9-10,14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339060
PNG
(US10201546, Example 16 | US10201546, Example 182a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(O)(CC1)C(F)(F)F)C(O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C28H26ClF6N5O3/c1-39-15-36-13-22(39)26(42,17-5-8-37-21(12-17)27(30,31)32)16-3-4-20-18(11-16)23(29)19(24(38-20)43-2)14-40-9-6-25(41,7-10-40)28(33,34)35/h3-5,8,11-13,15,41-42H,6-7,9-10,14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 29n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluor is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability (...


US Patent US10201546 (2019)


BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339060
PNG
(US10201546, Example 16 | US10201546, Example 182a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(O)(CC1)C(F)(F)F)C(O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C28H26ClF6N5O3/c1-39-15-36-13-22(39)26(42,17-5-8-37-21(12-17)27(30,31)32)16-3-4-20-18(11-16)23(29)19(24(38-20)43-2)14-40-9-6-25(41,7-10-40)28(33,34)35/h3-5,8,11-13,15,41-42H,6-7,9-10,14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)


BindingDB Entry DOI: 10.7270/Q2F47R8C
More data for this
Ligand-Target Pair