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BDBM339090 US10201546, Example 38c

SMILES: CC(C)Oc1c(Cl)c2cc(ccc2nc1N1CCC1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C

InChI Key: InChIKey=KLKYHVJRYNFQKI-SANMLTNESA-N

Data: 1 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 339090   
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))
BDBM339090
PNG
(US10201546, Example 38c)
Show SMILES CC(C)Oc1c(Cl)c2cc(ccc2nc1N1CCC1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C26H29ClN6O2/c1-15(2)35-24-23(27)19-13-18(8-10-21(19)30-25(24)33-11-6-12-33)26(34,22-14-28-31-32(22)5)20-9-7-16(3)29-17(20)4/h7-10,13-15,34H,6,11-12H2,1-5H3/t26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 26n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluorŪ assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR...


US Patent US10201546 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM339090
PNG
(US10201546, Example 38c)
Show SMILES CC(C)Oc1c(Cl)c2cc(ccc2nc1N1CCC1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C26H29ClN6O2/c1-15(2)35-24-23(27)19-13-18(8-10-21(19)30-25(24)33-11-6-12-33)26(34,22-14-28-31-32(22)5)20-9-7-16(3)29-17(20)4/h7-10,13-15,34H,6,11-12H2,1-5H3/t26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 20n/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)

More data for this
Ligand-Target Pair