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SMILES: Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc(C3CCN(CC3)C(=O)C3CC4CC[C@H]3C4)c12

InChI Key: InChIKey=ZROQDFAPXXPPAV-GJFCNDCISA-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 2 hits for monomerid = 368615   
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))
BDBM368615
PNG
(US10227346, Example 36 | US10426135, Example 36)
Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc(C3CCN(CC3)C(=O)C3CC4CC[C@H]3C4)c12 |r|
Show InChI InChI=1S/C30H33N5O2/c1-18-26(33-29(36)23-5-3-4-20(13-23)15-31)16-32-28-27(18)25(17-34(28)2)21-8-10-35(11-9-21)30(37)24-14-19-6-7-22(24)12-19/h3-5,13,16-17,19,21-22,24H,6-12,14H2,1-2H3,(H,33,36)/t19?,22-,24?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.5n/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))
BDBM368615
PNG
(US10227346, Example 36 | US10426135, Example 36)
Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc(C3CCN(CC3)C(=O)C3CC4CC[C@H]3C4)c12 |r|
Show InChI InChI=1S/C30H33N5O2/c1-18-26(33-29(36)23-5-3-4-20(13-23)15-31)16-32-28-27(18)25(17-34(28)2)21-8-10-35(11-9-21)30(37)24-14-19-6-7-22(24)12-19/h3-5,13,16-17,19,21-22,24H,6-12,14H2,1-2H3,(H,33,36)/t19?,22-,24?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.5n/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