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BDBM190301 US10227346, Example 63::US10426135, Example 63::US9670201, 63 (R)-3-chloro-N-(3-(1-(cyclopentane-carbonyl)-2,2-dimethylpiperidin-4-yl)-1,4-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-methoxybenzamide::US9920054, Example 63

SMILES: COc1cc(Cl)cc(c1)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN(C(=O)C4CCCC4)C(C)(C)C3)c2c1C

InChI Key: InChIKey=HWFUUWBYBMAHRO-HXUWFJFHSA-N

Data: 4 IC50

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 = 190301   
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))
BDBM190301
PNG
(US10227346, Example 63 | US10426135, Example 63 | ...)
Show SMILES COc1cc(Cl)cc(c1)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN(C(=O)C4CCCC4)C(C)(C)C3)c2c1C |r|
Show InChI InChI=1S/C30H37ClN4O3/c1-18-25(33-28(36)21-12-22(31)14-23(13-21)38-5)16-32-27-26(18)24(17-34(27)4)20-10-11-35(30(2,3)15-20)29(37)19-8-6-7-9-19/h12-14,16-17,19-20H,6-11,15H2,1-5H3,(H,33,36)/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/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))
BDBM190301
PNG
(US10227346, Example 63 | US10426135, Example 63 | ...)
Show SMILES COc1cc(Cl)cc(c1)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN(C(=O)C4CCCC4)C(C)(C)C3)c2c1C |r|
Show InChI InChI=1S/C30H37ClN4O3/c1-18-25(33-28(36)21-12-22(31)14-23(13-21)38-5)16-32-27-26(18)24(17-34(27)4)20-10-11-35(30(2,3)15-20)29(37)19-8-6-7-9-19/h12-14,16-17,19-20H,6-11,15H2,1-5H3,(H,33,36)/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.9n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...


US Patent US10426135 (2019)


BindingDB Entry DOI: 10.7270/Q23N25QB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM190301
PNG
(US10227346, Example 63 | US10426135, Example 63 | ...)
Show SMILES COc1cc(Cl)cc(c1)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN(C(=O)C4CCCC4)C(C)(C)C3)c2c1C |r|
Show InChI InChI=1S/C30H37ClN4O3/c1-18-25(33-28(36)21-12-22(31)14-23(13-21)38-5)16-32-27-26(18)24(17-34(27)4)20-10-11-35(30(2,3)15-20)29(37)19-8-6-7-9-19/h12-14,16-17,19-20H,6-11,15H2,1-5H3,(H,33,36)/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.9n/an/an/an/an/an/a



Montana State University





J Med Chem 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q2GH9M91
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM190301
PNG
(US10227346, Example 63 | US10426135, Example 63 | ...)
Show SMILES COc1cc(Cl)cc(c1)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN(C(=O)C4CCCC4)C(C)(C)C3)c2c1C |r|
Show InChI InChI=1S/C30H37ClN4O3/c1-18-25(33-28(36)21-12-22(31)14-23(13-21)38-5)16-32-27-26(18)24(17-34(27)4)20-10-11-35(30(2,3)15-20)29(37)19-8-6-7-9-19/h12-14,16-17,19-20H,6-11,15H2,1-5H3,(H,33,36)/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.9n/an/an/an/an/an/a



Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...


J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair