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BDBM189895 US10227346, Example 22::US9670201, 22 (S)-3-cyano-N-(1-methyl-4-(trifluoromethyl)-3-(1-(2,3,3-trimethylbutanoyl)piperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide::US9920054, Example 22

SMILES: C[C@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F)C(C)(C)C

InChI Key: InChIKey=HOYIABUVEXFNIV-AGDOHHJYNA-N

Data: 3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 189895   
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))
BDBM189895
PNG
(US10227346, Example 22 | US9670201, 22 (S)-3-cyano...)
Show SMILES C[C@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F)C(C)(C)C |r|
Show InChI InChI=1/C29H32F3N5O2/c1-17(28(2,3)4)27(39)37-11-9-19(10-12-37)21-16-36(5)25-23(21)24(29(30,31)32)22(15-34-25)35-26(38)20-8-6-7-18(13-20)14-33/h6-8,13,15-17,19H,9-12H2,1-5H3,(H,35,38)/t17-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/an/an/an/a7.525



Pfizer Inc.

US Patent


Assay Description
Specifically, in one embodiment the aforementioned assay was performed as outlined below. The assay was carried out in black polystyrene, 384-well pl...


US Patent US9670201 (2017)


BindingDB Entry DOI: 10.7270/Q28G8HWT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM189895
PNG
(US10227346, Example 22 | US9670201, 22 (S)-3-cyano...)
Show SMILES C[C@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F)C(C)(C)C |r|
Show InChI InChI=1/C29H32F3N5O2/c1-17(28(2,3)4)27(39)37-11-9-19(10-12-37)21-16-36(5)25-23(21)24(29(30,31)32)22(15-34-25)35-26(38)20-8-6-7-18(13-20)14-33/h6-8,13,15-17,19H,9-12H2,1-5H3,(H,35,38)/t17-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 2.70n/an/an/an/an/an/a



Montana State University





J Med Chem 50: 4928-38 (2007)


Article DOI: 10.1021/jm070600+
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM189895
PNG
(US10227346, Example 22 | US9670201, 22 (S)-3-cyano...)
Show SMILES C[C@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F)C(C)(C)C |r|
Show InChI InChI=1/C29H32F3N5O2/c1-17(28(2,3)4)27(39)37-11-9-19(10-12-37)21-16-36(5)25-23(21)24(29(30,31)32)22(15-34-25)35-26(38)20-8-6-7-18(13-20)14-33/h6-8,13,15-17,19H,9-12H2,1-5H3,(H,35,38)/t17-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 2.70n/an/an/an/an/an/a



Universita di Napoli





J Med Chem 51: 1764-70 (2008)


Article DOI: 10.1021/jm701159t
More data for this
Ligand-Target Pair