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BDBM189880 US10227346, Example 8::US10426135, Example 8::US9670201, 8 3-cyano-N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-methoxybenzamide::US9920054, Example 8

SMILES: COc1cc(cc(c1)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C(F)(F)F)C#N

InChI Key: InChIKey=HDCPGGAKTMQWOB-UHFFFAOYSA-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 = 189880   
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 (RORC)


(Homo sapiens (Human))
BDBM189880
PNG
(US10227346, Example 8 | US10426135, Example 8 | US...)
Show SMILES COc1cc(cc(c1)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C(F)(F)F)C#N
Show InChI InChI=1S/C27H28F3N5O3/c1-15(2)26(37)35-7-5-17(6-8-35)20-14-34(3)24-22(20)23(27(28,29)30)21(13-32-24)33-25(36)18-9-16(12-31)10-19(11-18)38-4/h9-11,13-15,17H,5-8H2,1-4H3,(H,33,36)
PDB

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UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.40n/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 (RORC)


(Homo sapiens (Human))
BDBM189880
PNG
(US10227346, Example 8 | US10426135, Example 8 | US...)
Show SMILES COc1cc(cc(c1)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C(F)(F)F)C#N
Show InChI InChI=1S/C27H28F3N5O3/c1-15(2)26(37)35-7-5-17(6-8-35)20-14-34(3)24-22(20)23(27(28,29)30)21(13-32-24)33-25(36)18-9-16(12-31)10-19(11-18)38-4/h9-11,13-15,17H,5-8H2,1-4H3,(H,33,36)
PDB

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UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.40n/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 (RORC)


(Homo sapiens (Human))
BDBM189880
PNG
(US10227346, Example 8 | US10426135, Example 8 | US...)
Show SMILES COc1cc(cc(c1)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C(F)(F)F)C#N
Show InChI InChI=1S/C27H28F3N5O3/c1-15(2)26(37)35-7-5-17(6-8-35)20-14-34(3)24-22(20)23(27(28,29)30)21(13-32-24)33-25(36)18-9-16(12-31)10-19(11-18)38-4/h9-11,13-15,17H,5-8H2,1-4H3,(H,33,36)
PDB

Reactome pathway

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.40n/an/an/an/an/an/a



Pfizer Inc

US Patent




US Patent US9920054 (2018)


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


(Homo sapiens (Human))
BDBM189880
PNG
(US10227346, Example 8 | US10426135, Example 8 | US...)
Show SMILES COc1cc(cc(c1)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C(F)(F)F)C#N
Show InChI InChI=1S/C27H28F3N5O3/c1-15(2)26(37)35-7-5-17(6-8-35)20-14-34(3)24-22(20)23(27(28,29)30)21(13-32-24)33-25(36)18-9-16(12-31)10-19(11-18)38-4/h9-11,13-15,17H,5-8H2,1-4H3,(H,33,36)
PDB

Reactome pathway

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.40n/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 US10227346 (2019)


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